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77871-85-3 | 1H-Pyrido[3,4-b]indole-3-carboxamide, 2,3,4,9-tetrahydro-N-methyl-
CAS No: 77871-85-3 Catalog No: AG005R9I MDL No:
Product Description
Catalog Number:
AG005R9I
Chemical Name:
1H-Pyrido[3,4-b]indole-3-carboxamide, 2,3,4,9-tetrahydro-N-methyl-
CAS Number:
77871-85-3
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
InChI:
InChI=1S/C13H15N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-5,11,15-16H,6-7H2,1H3,(H,14,17)
InChI Key:
NHZOCYMIGONJLH-UHFFFAOYSA-N
SMILES:
CNC(=O)C1NCc2c(C1)c1ccccc1[nH]2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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