N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide

C15H12ClN3O — CID 65490101

IUPACN-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H12ClN3O/c1-9-4-6-18-14(16)13(9)19-15(20)11-3-2-10-5-7-17-12(10)8-11/h2-8,17H,1H3,(H,19,20)
InChIKeyMYDNOPFQQQIZLA-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.78
Rot. Bonds2

About N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide

N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide (PubChem CID 65490101) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
PubChem CID65490101
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC NameN-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H12ClN3O/c1-9-4-6-18-14(16)13(9)19-15(20)11-3-2-10-5-7-17-12(10)8-11/h2-8,17H,1H3,(H,19,20)
InChIKeyMYDNOPFQQQIZLA-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

N-(2-chloro-6-methylphenyl)-1H-indole-6-carboxamide
CID 66255832
N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
CID 116795223
N-(4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
CID 55225910
N-(2-ethyl-6-methylphenyl)-1H-indole-6-carboxamide
CID 60773719
N-(3-methyl-4-pyridinyl)-1H-indole-6-carboxamide
CID 63709047
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65490876
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874
4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide
CID 65490473
3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
CID 82776473
4-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63750401

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide (CID 65490101) is N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide is Cc1ccnc(Cl)c1NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide?
The InChIKey is MYDNOPFQQQIZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-4-6-18-14(16)13(9)19-15(20)11-3-2-10-5-7-17-12(10)8-11/h2-8,17H,1H3,(H,19,20).
What are the key properties of N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide?
N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-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-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 65490101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).