5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide

C20H18ClN3O — CID 109232823

IUPAC5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(Nc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C20H18ClN3O/c1-14(15-5-3-2-4-6-15)23-20(25)16-11-19(13-22-12-16)24-18-9-7-17(21)8-10-18/h2-14,24H,1H3,(H,23,25)
InChIKeyVGYJDCROPOYYEM-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.97
Rot. Bonds5

About 5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide

5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 109232823) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID109232823
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(Nc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C20H18ClN3O/c1-14(15-5-3-2-4-6-15)23-20(25)16-11-19(13-22-12-16)24-18-9-7-17(21)8-10-18/h2-14,24H,1H3,(H,23,25)
InChIKeyVGYJDCROPOYYEM-UHFFFAOYSA-N
XLogP4.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232865
5-(4-bromoanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232831
5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232834
N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232839
5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232774
methyl 3-[[5-(1-phenylethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109232851
5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232809
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296
N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232761
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
3-N-(4-ethylphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105379
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide (CID 109232823) is 5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide is CC(NC(=O)c1cncc(Nc2ccc(Cl)cc2)c1)c1ccccc1.
What is the InChIKey of 5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is VGYJDCROPOYYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14(15-5-3-2-4-6-15)23-20(25)16-11-19(13-22-12-16)24-18-9-7-17(21)8-10-18/h2-14,24H,1H3,(H,23,25).
What are the key properties of 5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109232823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).