N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide

C13H9ClN4O — CID 116795223

IUPACN-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccnc(Cl)n1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H9ClN4O/c14-13-16-6-4-11(18-13)17-12(19)9-2-1-8-3-5-15-10(8)7-9/h1-7,15H,(H,16,17,18,19)
InChIKeyULCXORSDGHBOBA-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.86
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide

N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide (PubChem CID 116795223) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
PubChem CID116795223
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC NameN-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccnc(Cl)n1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H9ClN4O/c14-13-16-6-4-11(18-13)17-12(19)9-2-1-8-3-5-15-10(8)7-9/h1-7,15H,(H,16,17,18,19)
InChIKeyULCXORSDGHBOBA-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 116795202
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
CID 65490101
6-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63749854
N-(1,2-oxazol-3-yl)-1H-indole-6-carboxamide
CID 63768269
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
4-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63750401
N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide
CID 114824082
N-quinolin-2-yl-1H-indole-5-carboxamide
CID 134151071
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
N-pyridazin-3-yl-1H-indole-5-carboxamide
CID 115635745
N-(2-chloro-6-methylphenyl)-1H-indole-6-carboxamide
CID 66255832

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide (CID 116795223) is N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide is O=C(Nc1ccnc(Cl)n1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide?
The InChIKey is ULCXORSDGHBOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-13-16-6-4-11(18-13)17-12(19)9-2-1-8-3-5-15-10(8)7-9/h1-7,15H,(H,16,17,18,19).
What are the key properties of N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide?
N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide has a molecular weight of 272.70 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 116795223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).