2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide

C17H17N3O — CID 2576679

IUPAC2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCc3ccccn3)cc2c1C
InChIInChI=1S/C17H17N3O/c1-11-12(2)20-16-7-6-13(9-15(11)16)17(21)19-10-14-5-3-4-8-18-14/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyVDEHJDIHLFHUHA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.11
Rot. Bonds3

About 2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide

2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide (PubChem CID 2576679) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
PubChem CID2576679
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCc3ccccn3)cc2c1C
InChIInChI=1S/C17H17N3O/c1-11-12(2)20-16-7-6-13(9-15(11)16)17(21)19-10-14-5-3-4-8-18-14/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyVDEHJDIHLFHUHA-UHFFFAOYSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 60778936
2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide
CID 103939765
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 61021913
N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 63716738
1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
CID 35524105
2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 103775042
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
2-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 110698624
2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 134035985
2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 53199668
methyl N-[4-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 60517718
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide (CID 2576679) is 2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCc3ccccn3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide?
The InChIKey is VDEHJDIHLFHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-12(2)20-16-7-6-13(9-15(11)16)17(21)19-10-14-5-3-4-8-18-14/h3-9,20H,10H2,1-2H3,(H,19,21).
What are the key properties of 2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide?
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 2576679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).