4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide

C14H11Cl2N3O2 — CID 9068732

IUPAC4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2N3O2/c15-9-1-3-11(4-2-9)19-13(20)8-18-14(21)12-7-10(16)5-6-17-12/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyPACZCTCLBCBYKW-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.76
Rot. Bonds4

About 4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 9068732) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID9068732
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2N3O2/c15-9-1-3-11(4-2-9)19-13(20)8-18-14(21)12-7-10(16)5-6-17-12/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyPACZCTCLBCBYKW-UHFFFAOYSA-N
XLogP2.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide
CID 9225392
4-chloro-N-[2-(naphthalen-2-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068575
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107
4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide
CID 9479430
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8820693
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
4-chloro-N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 9366395
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8853560
methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781667
methyl 3-[[2-[(4-chloropyridine-2-carbonyl)amino]acetyl]amino]-4-methylbenzoate
CID 9378201
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide (CID 9068732) is 4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide is O=C(CNC(=O)c1cc(Cl)ccn1)Nc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is PACZCTCLBCBYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-9-1-3-11(4-2-9)19-13(20)8-18-14(21)12-7-10(16)5-6-17-12/h1-7H,8H2,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9068732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).