2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide

C21H14ClN3O2 — CID 53317539

IUPAC2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(ccn2C(=O)c2ccccn2)c1)c1ccccc1Cl
InChIInChI=1S/C21H14ClN3O2/c22-17-6-2-1-5-16(17)20(26)24-15-8-9-19-14(13-15)10-12-25(19)21(27)18-7-3-4-11-23-18/h1-13H,(H,24,26)
InChIKeyMZXZJQKERZBYOZ-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.63
Rot. Bonds3

About 2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide

2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide (PubChem CID 53317539) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide
PubChem CID53317539
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(ccn2C(=O)c2ccccn2)c1)c1ccccc1Cl
InChIInChI=1S/C21H14ClN3O2/c22-17-6-2-1-5-16(17)20(26)24-15-8-9-19-14(13-15)10-12-25(19)21(27)18-7-3-4-11-23-18/h1-13H,(H,24,26)
InChIKeyMZXZJQKERZBYOZ-UHFFFAOYSA-N
XLogP4.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloroindol-1-yl)-pyridin-2-ylmethanone
CID 175014523
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
CID 110793268
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
CID 141172289
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
CID 83282724
2-chloro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315780
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
3-chloro-N-quinolin-6-ylpyridine-4-carboxamide
CID 66484536
N-[4-chloro-3-(triiodomethoxy)phenyl]pyridine-2-carboxamide
CID 166998512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide (CID 53317539) is 2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide is O=C(Nc1ccc2c(ccn2C(=O)c2ccccn2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide?
The InChIKey is MZXZJQKERZBYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-17-6-2-1-5-16(17)20(26)24-15-8-9-19-14(13-15)10-12-25(19)21(27)18-7-3-4-11-23-18/h1-13H,(H,24,26).
What are the key properties of 2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide?
2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide has a molecular weight of 375.82 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide is sourced from PubChem (CID 53317539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).