7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide

C16H14ClN3O — CID 110852044

IUPAC7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2c(Cl)cccc2c1C(=O)NCc1cccnc1
InChIInChI=1S/C16H14ClN3O/c1-10-14(12-5-2-6-13(17)15(12)20-10)16(21)19-9-11-4-3-7-18-8-11/h2-8,20H,9H2,1H3,(H,19,21)
InChIKeyDIPNYUOAHSJSTH-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.45
Rot. Bonds3

About 7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide

7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 110852044) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide
PubChem CID110852044
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2c(Cl)cccc2c1C(=O)NCc1cccnc1
InChIInChI=1S/C16H14ClN3O/c1-10-14(12-5-2-6-13(17)15(12)20-10)16(21)19-9-11-4-3-7-18-8-11/h2-8,20H,9H2,1H3,(H,19,21)
InChIKeyDIPNYUOAHSJSTH-UHFFFAOYSA-N
XLogP3.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-(furan-2-ylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 110850474
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 1070191
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178
2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911249
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 2803457
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
7-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 110852008
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of 7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide (CID 110852044) is 7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide is Cc1[nH]c2c(Cl)cccc2c1C(=O)NCc1cccnc1.
What is the InChIKey of 7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is DIPNYUOAHSJSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-14(12-5-2-6-13(17)15(12)20-10)16(21)19-9-11-4-3-7-18-8-11/h2-8,20H,9H2,1H3,(H,19,21).
What are the key properties of 7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide?
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 110852044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).