N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide

C16H15ClN2O2 — CID 13189661

IUPACN-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)c1cc(Cl)ccc1NC(=O)c1ccncc1
InChIInChI=1S/C16H15ClN2O2/c1-10(2)15(20)13-9-12(17)3-4-14(13)19-16(21)11-5-7-18-8-6-11/h3-10H,1-2H3,(H,19,21)
InChIKeySDQHSELMPRKHFH-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.83
Rot. Bonds4

About N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide

N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide (PubChem CID 13189661) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide
PubChem CID13189661
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)c1cc(Cl)ccc1NC(=O)c1ccncc1
InChIInChI=1S/C16H15ClN2O2/c1-10(2)15(20)13-9-12(17)3-4-14(13)19-16(21)11-5-7-18-8-6-11/h3-10H,1-2H3,(H,19,21)
InChIKeySDQHSELMPRKHFH-UHFFFAOYSA-N
XLogP3.83
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
N-[2-[(3-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 167800033
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
CID 100692060
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
5-chloro-2-[(4-methylbenzoyl)amino]benzamide
CID 46934109
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
N-(2-amino-4-fluorophenyl)pyridine-4-carboxamide
CID 16772506
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide (CID 13189661) is N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide is CC(C)C(=O)c1cc(Cl)ccc1NC(=O)c1ccncc1.
What is the InChIKey of N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is SDQHSELMPRKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10(2)15(20)13-9-12(17)3-4-14(13)19-16(21)11-5-7-18-8-6-11/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide?
N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-methylpropanoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 13189661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).