4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide

C15H12Cl3N3O2 — CID 9268867

IUPAC4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3N3O2/c16-10-2-1-9(12(18)5-10)7-20-14(22)8-21-15(23)13-6-11(17)3-4-19-13/h1-6H,7-8H2,(H,20,22)(H,21,23)
InChIKeyNAHKTLNFFMDLTR-UHFFFAOYSA-N
MW372.64 g/mol
LogP3.09
Rot. Bonds5

About 4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 9268867) has the molecular formula C15H12Cl3N3O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID9268867
Molecular FormulaC15H12Cl3N3O2
Molecular Weight372.64 g/mol
Exact Mass371.00
IUPAC Name4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3N3O2/c16-10-2-1-9(12(18)5-10)7-20-14(22)8-21-15(23)13-6-11(17)3-4-19-13/h1-6H,7-8H2,(H,20,22)(H,21,23)
InChIKeyNAHKTLNFFMDLTR-UHFFFAOYSA-N
XLogP3.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 53.09
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-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide
CID 9143516
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9269080
4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63372919
N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147414
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide
CID 24610565
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
CID 9427363
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107
4-chloro-N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 9366395

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide (CID 9268867) is 4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide is O=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is NAHKTLNFFMDLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3O2/c16-10-2-1-9(12(18)5-10)7-20-14(22)8-21-15(23)13-6-11(17)3-4-19-13/h1-6H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of 4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 372.64 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9268867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).