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Home > Pyridines > 1183817-12-0
1183817-12-0 | 4,6-dimethyl-2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-3-carboxamide
CAS No: 1183817-12-0 Catalog No: AG01A8GB MDL No:MFCD12902975
Product Description
Catalog Number:
AG01A8GB
Chemical Name:
4,6-dimethyl-2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-3-carboxamide
CAS Number:
1183817-12-0
Molecular Formula:
C12H14N4O2
Molecular Weight:
246.2652
MDL Number:
MFCD12902975
IUPAC Name:
4,6-dimethyl-2-oxo-N-(1H-pyrazol-4-ylmethyl)-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C12H14N4O2/c1-7-3-8(2)16-12(18)10(7)11(17)13-4-9-5-14-15-6-9/h3,5-6H,4H2,1-2H3,(H,13,17)(H,14,15)(H,16,18)
InChI Key:
PSYXUJNIOOEULC-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)cc([nH]c1=O)C)NCc1c[nH]nc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.27g/mol
Monoisotopic Mass:
246.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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