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

C14H10ClN3O — CID 79478764

IUPACN-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1cccc2[nH]ccc12
InChIInChI=1S/C14H10ClN3O/c15-13-5-4-9(8-17-13)18-14(19)11-2-1-3-12-10(11)6-7-16-12/h1-8,16H,(H,18,19)
InChIKeyDSGIIEPUBRTJFH-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.47
Rot. Bonds2

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

N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide (PubChem CID 79478764) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide
PubChem CID79478764
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC NameN-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1cccc2[nH]ccc12
InChIInChI=1S/C14H10ClN3O/c15-13-5-4-9(8-17-13)18-14(19)11-2-1-3-12-10(11)6-7-16-12/h1-8,16H,(H,18,19)
InChIKeyDSGIIEPUBRTJFH-UHFFFAOYSA-N
XLogP3.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.47
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-(5-chloro-2-pyridinyl)-1H-indole-4-carboxamide
CID 43583034
N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
CID 43617232
N-(4-chloro-3-fluorophenyl)-1H-indole-4-carboxamide
CID 61274358
N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
CID 43582392
N-(2,6-dichlorophenyl)-1H-indole-4-carboxamide
CID 65499059
N-(1H-indazol-6-yl)-1H-indole-4-carboxamide
CID 61258694
N-(3,5-difluorophenyl)-1H-indole-4-carboxamide
CID 43582668
N-(5-bromo-2-pyridinyl)-1H-indole-4-carboxamide
CID 43583044
N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide
CID 115672322
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide
CID 107575074
2-[4-(1H-indole-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018899

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide (CID 79478764) is N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide is O=C(Nc1ccc(Cl)nc1)c1cccc2[nH]ccc12.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide?
The InChIKey is DSGIIEPUBRTJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-13-5-4-9(8-17-13)18-14(19)11-2-1-3-12-10(11)6-7-16-12/h1-8,16H,(H,18,19).
What are the key properties of N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide?
N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 79478764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).