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88350-71-4 | Pyrido[2,3-d]pyrimidin-4(3H)-one, 3-(1-piperidinylmethyl)-
CAS No: 88350-71-4 Catalog No: AG0045E2 MDL No:
Product Description
Catalog Number:
AG0045E2
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(3H)-one, 3-(1-piperidinylmethyl)-
CAS Number:
88350-71-4
Molecular Formula:
C13H16N4O
Molecular Weight:
244.2923
IUPAC Name:
3-(piperidin-1-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C13H16N4O/c18-13-11-5-4-6-14-12(11)15-9-17(13)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2
InChI Key:
STCVIYNCIKPNCS-UHFFFAOYSA-N
SMILES:
O=c1n(CN2CCCCC2)cnc2c1cccn2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.298g/mol
Monoisotopic Mass:
244.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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