3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

C17H17N3O — CID 113204984

IUPAC3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCc3cccnc3)[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-11-5-6-14-12(2)16(20-15(14)8-11)17(21)19-10-13-4-3-7-18-9-13/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyPUJSLVXBHNARSE-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.11
Rot. Bonds3

About 3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 113204984) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
PubChem CID113204984
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCc3cccnc3)[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-11-5-6-14-12(2)16(20-15(14)8-11)17(21)19-10-13-4-3-7-18-9-13/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyPUJSLVXBHNARSE-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

3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 113204204
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 22513802
8-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879934
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 84579294
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 54596779
5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 175651298
2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100525900
N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide
CID 113204974

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (CID 113204984) is 3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCc3cccnc3)[nH]c2c1.
What is the InChIKey of 3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is PUJSLVXBHNARSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-5-6-14-12(2)16(20-15(14)8-11)17(21)19-10-13-4-3-7-18-9-13/h3-9,20H,10H2,1-2H3,(H,19,21).
What are the key properties of 3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-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 3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113204984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).