N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide

C20H18ClN3O — CID 109156139

IUPACN-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H18ClN3O/c1-14(15-5-3-2-4-6-15)23-19-12-7-16(13-22-19)20(25)24-18-10-8-17(21)9-11-18/h2-14H,1H3,(H,22,23)(H,24,25)
InChIKeyJGZVDHIZDMHVGS-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.16
Rot. Bonds5

About N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide

N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109156139) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID109156139
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H18ClN3O/c1-14(15-5-3-2-4-6-15)23-19-12-7-16(13-22-19)20(25)24-18-10-8-17(21)9-11-18/h2-14H,1H3,(H,22,23)(H,24,25)
InChIKeyJGZVDHIZDMHVGS-UHFFFAOYSA-N
XLogP5.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026825
N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156169
2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011893
methyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280993
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156184
N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256548
2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026793

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide (CID 109156139) is N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide is CC(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1)c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is JGZVDHIZDMHVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14(15-5-3-2-4-6-15)23-19-12-7-16(13-22-19)20(25)24-18-10-8-17(21)9-11-18/h2-14H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109156139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).