4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide

C20H18ClN3O2 — CID 127032541

IUPAC4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(NCCc2cccc(Cl)c2)cc[nH]c1=O
InChIInChI=1S/C20H18ClN3O2/c21-15-6-4-5-14(13-15)9-11-22-17-10-12-23-19(25)18(17)20(26)24-16-7-2-1-3-8-16/h1-8,10,12-13H,9,11H2,(H,24,26)(H2,22,23,25)
InChIKeyHWWXIZUVQNCATG-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.94
Rot. Bonds6

About 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide

4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide (PubChem CID 127032541) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
PubChem CID127032541
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1c(NCCc2cccc(Cl)c2)cc[nH]c1=O
InChIInChI=1S/C20H18ClN3O2/c21-15-6-4-5-14(13-15)9-11-22-17-10-12-23-19(25)18(17)20(26)24-16-7-2-1-3-8-16/h1-8,10,12-13H,9,11H2,(H,24,26)(H2,22,23,25)
InChIKeyHWWXIZUVQNCATG-UHFFFAOYSA-N
XLogP3.94
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide (CID 127032541) is 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide is O=C(Nc1ccccc1)c1c(NCCc2cccc(Cl)c2)cc[nH]c1=O.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is HWWXIZUVQNCATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-15-6-4-5-14(13-15)9-11-22-17-10-12-23-19(25)18(17)20(26)24-16-7-2-1-3-8-16/h1-8,10,12-13H,9,11H2,(H,24,26)(H2,22,23,25).
What are the key properties of 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?
4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 127032541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).