N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide

C16H16ClN3O2 — CID 654701

IUPACN-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C16H16ClN3O2/c1-2-5-15(21)19-11-8-9-14(18-10-11)20-16(22)12-6-3-4-7-13(12)17/h3-4,6-10H,2,5H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyVYZAHNWWSOQSQC-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.73
Rot. Bonds5

About N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide

N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide (PubChem CID 654701) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide
PubChem CID654701
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C16H16ClN3O2/c1-2-5-15(21)19-11-8-9-14(18-10-11)20-16(22)12-6-3-4-7-13(12)17/h3-4,6-10H,2,5H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyVYZAHNWWSOQSQC-UHFFFAOYSA-N
XLogP3.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 120053
N-(pyridin-2-yl)benzamide
CID 219990
Bibn 99
CID 132712
N-(5-amino-2-pyridinyl)-4-trifluoromethylbenzamide
CID 24752865
(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
4-Aminobenzamidopyridine
CID 81976
N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169
2,6-Dichloro-N-{2-[(Cyclopropylcarbonyl)amino]pyridin-4-Yl}benzamide
CID 49839561
2-chloro-N-(pyridin-3-yl)benzamide
CID 587129
2,4-dichloro-N-(pyridin-3-yl)benzamide
CID 599595
Dipyridodiazepinone deriv. 15
CID 463144

Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide?
The IUPAC name of N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide (CID 654701) is N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide.
What is the SMILES notation for N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide?
The canonical SMILES for N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide is CCCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1.
What is the InChIKey of N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide?
The InChIKey is VYZAHNWWSOQSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-2-5-15(21)19-11-8-9-14(18-10-11)20-16(22)12-6-3-4-7-13(12)17/h3-4,6-10H,2,5H2,1H3,(H,19,21)(H,18,20,22).
What are the key properties of N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide?
N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide has a molecular weight of 317.78 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-2-pyridinyl]-2-chlorobenzamide is sourced from PubChem (CID 654701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).