1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide

C17H17N3O — CID 110851900

IUPAC1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCc1cccc2cc(C(=O)NCc3ccccn3)n(C)c12
InChIInChI=1S/C17H17N3O/c1-12-6-5-7-13-10-15(20(2)16(12)13)17(21)19-11-14-8-3-4-9-18-14/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyXWXYKBPUDVWNRM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.81
Rot. Bonds3

About 1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide

1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide (PubChem CID 110851900) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide
PubChem CID110851900
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCc1cccc2cc(C(=O)NCc3ccccn3)n(C)c12
InChIInChI=1S/C17H17N3O/c1-12-6-5-7-13-10-15(20(2)16(12)13)17(21)19-11-14-8-3-4-9-18-14/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyXWXYKBPUDVWNRM-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-4-oxo-N-(pyridin-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309438
1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide
CID 53004567
4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370880
6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370881
6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370893
1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 36714081
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 36714293

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The IUPAC name of 1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide (CID 110851900) is 1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide is Cc1cccc2cc(C(=O)NCc3ccccn3)n(C)c12.
What is the InChIKey of 1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The InChIKey is XWXYKBPUDVWNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-6-5-7-13-10-15(20(2)16(12)13)17(21)19-11-14-8-3-4-9-18-14/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 110851900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).