3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide

C16H14ClN3O — CID 71896592

IUPAC3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
SMILESCc1ccnc(NC(=O)c2c(Cl)c3ccccc3n2C)c1
InChIInChI=1S/C16H14ClN3O/c1-10-7-8-18-13(9-10)19-16(21)15-14(17)11-5-3-4-6-12(11)20(15)2/h3-9H,1-2H3,(H,18,19,21)
InChIKeyGHXOXZTXCHOHPD-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.79
Rot. Bonds2

About 3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide

3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide (PubChem CID 71896592) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
PubChem CID71896592
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
SMILESCc1ccnc(NC(=O)c2c(Cl)c3ccccc3n2C)c1
InChIInChI=1S/C16H14ClN3O/c1-10-7-8-18-13(9-10)19-16(21)15-14(17)11-5-3-4-6-12(11)20(15)2/h3-9H,1-2H3,(H,18,19,21)
InChIKeyGHXOXZTXCHOHPD-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501362
4-chloro-1,5-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 39853788
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide
CID 55666003
4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide
CID 65355663
N-(4-chloro-2-pyridinyl)-1-methylindazole-3-carboxamide
CID 103123877
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 55665946
2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide
CID 22549822
N-(4-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 19581183
3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
CID 110900786
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide?
The IUPAC name of 3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide (CID 71896592) is 3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide.
What is the SMILES notation for 3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide?
The canonical SMILES for 3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide is Cc1ccnc(NC(=O)c2c(Cl)c3ccccc3n2C)c1.
What is the InChIKey of 3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide?
The InChIKey is GHXOXZTXCHOHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-7-8-18-13(9-10)19-16(21)15-14(17)11-5-3-4-6-12(11)20(15)2/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of 3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide?
3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide is sourced from PubChem (CID 71896592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).