N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide

C21H20ClN3O — CID 109160796

IUPACN-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C21H20ClN3O/c22-18-9-4-10-19(14-18)25-21(26)17-11-12-20(24-15-17)23-13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,14-15H,5,8,13H2,(H,23,24)(H,25,26)
InChIKeyJVJQIRQJKJIRFI-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.03
Rot. Bonds7

About N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide

N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide (PubChem CID 109160796) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
PubChem CID109160796
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C21H20ClN3O/c22-18-9-4-10-19(14-18)25-21(26)17-11-12-20(24-15-17)23-13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,14-15H,5,8,13H2,(H,23,24)(H,25,26)
InChIKeyJVJQIRQJKJIRFI-UHFFFAOYSA-N
XLogP5.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160785
N-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160795
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
N-(3-chlorophenyl)-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156799
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155987
6-[2-(3-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109161942
N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262706
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide (CID 109160796) is N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc(NCCCc2ccccc2)nc1.
What is the InChIKey of N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The InChIKey is JVJQIRQJKJIRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-18-9-4-10-19(14-18)25-21(26)17-11-12-20(24-15-17)23-13-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-12,14-15H,5,8,13H2,(H,23,24)(H,25,26).
What are the key properties of N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109160796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).