4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide

C17H18ClN3O2 — CID 9225392

IUPAC4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide
SMILESCCCc1ccc(NC(=O)CNC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C17H18ClN3O2/c1-2-3-12-4-6-14(7-5-12)21-16(22)11-20-17(23)15-10-13(18)8-9-19-15/h4-10H,2-3,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyLNHFXBQNBSECQZ-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.06
Rot. Bonds6

About 4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide

4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide (PubChem CID 9225392) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide
PubChem CID9225392
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide
SMILESCCCc1ccc(NC(=O)CNC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C17H18ClN3O2/c1-2-3-12-4-6-14(7-5-12)21-16(22)11-20-17(23)15-10-13(18)8-9-19-15/h4-10H,2-3,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyLNHFXBQNBSECQZ-UHFFFAOYSA-N
XLogP3.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107
4-chloro-N-[2-(naphthalen-2-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068575
4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide
CID 9479430
methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781667
4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide
CID 115116947
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8820693
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8853560
4-chloro-N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 9366395
methyl 3-[[2-[(4-chloropyridine-2-carbonyl)amino]acetyl]amino]-4-methylbenzoate
CID 9378201
4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9269080
4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide
CID 18115585

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide (CID 9225392) is 4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide is CCCc1ccc(NC(=O)CNC(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide?
The InChIKey is LNHFXBQNBSECQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-2-3-12-4-6-14(7-5-12)21-16(22)11-20-17(23)15-10-13(18)8-9-19-15/h4-10H,2-3,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide?
4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9225392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).