N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide

C15H12ClN3O — CID 107301351

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
SMILESCc1nc(Cl)ccc1NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H12ClN3O/c1-9-12(6-7-14(16)18-9)19-15(20)11-8-17-13-5-3-2-4-10(11)13/h2-8,17H,1H3,(H,19,20)
InChIKeyVBWTYXLGDMFHGF-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.78
Rot. Bonds2

About N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide

N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide (PubChem CID 107301351) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
PubChem CID107301351
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
SMILESCc1nc(Cl)ccc1NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H12ClN3O/c1-9-12(6-7-14(16)18-9)19-15(20)11-8-17-13-5-3-2-4-10(11)13/h2-8,17H,1H3,(H,19,20)
InChIKeyVBWTYXLGDMFHGF-UHFFFAOYSA-N
XLogP3.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301024
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264
N-(2-hydroxyphenyl)-1H-indole-3-carboxamide
CID 57210773
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
N-(2-bromo-3-chlorophenyl)-1H-indole-3-carboxamide
CID 103479873
N-(2-methoxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 60933429
N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 61259189
N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 47113057
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
CID 113205562
N-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indole-3-carboxamide
CID 115572262
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide (CID 107301351) is N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide is Cc1nc(Cl)ccc1NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide?
The InChIKey is VBWTYXLGDMFHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-12(6-7-14(16)18-9)19-15(20)11-8-17-13-5-3-2-4-10(11)13/h2-8,17H,1H3,(H,19,20).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide?
N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 107301351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).