5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide

C20H18ClN3O — CID 109243553

IUPAC5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(Nc2cccc(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C20H18ClN3O/c1-2-24(19-9-4-3-5-10-19)20(25)15-11-18(14-22-13-15)23-17-8-6-7-16(21)12-17/h3-14,23H,2H2,1H3
InChIKeyVSZBTVSLDZLIEV-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.15
Rot. Bonds5

About 5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide

5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide (PubChem CID 109243553) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
PubChem CID109243553
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(Nc2cccc(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C20H18ClN3O/c1-2-24(19-9-4-3-5-10-19)20(25)15-11-18(14-22-13-15)23-17-8-6-7-16(21)12-17/h3-14,23H,2H2,1H3
InChIKeyVSZBTVSLDZLIEV-UHFFFAOYSA-N
XLogP5.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109241929
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243578
3-N-(3-chlorophenyl)-5-N-ethyl-5-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109108801
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267628
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
5-N-ethyl-3-N-(3-fluorophenyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108560
N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108516466
5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233349
N-ethyl-5-[(2-methoxyphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109234311
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide (CID 109243553) is 5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide is CCN(C(=O)c1cncc(Nc2cccc(Cl)c2)c1)c1ccccc1.
What is the InChIKey of 5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide?
The InChIKey is VSZBTVSLDZLIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-2-24(19-9-4-3-5-10-19)20(25)15-11-18(14-22-13-15)23-17-8-6-7-16(21)12-17/h3-14,23H,2H2,1H3.
What are the key properties of 5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide?
5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109243553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).