N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide

C22H22ClN3O — CID 109233806

IUPACN-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cncc(NCCCc2ccccc2)c1
InChIInChI=1S/C22H22ClN3O/c23-21-11-5-4-10-18(21)15-26-22(27)19-13-20(16-24-14-19)25-12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,13-14,16,25H,6,9,12,15H2,(H,26,27)
InChIKeyZRJRUQOIZHKANN-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.71
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide (PubChem CID 109233806) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide
PubChem CID109233806
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cncc(NCCCc2ccccc2)c1
InChIInChI=1S/C22H22ClN3O/c23-21-11-5-4-10-18(21)15-26-22(27)19-13-20(16-24-14-19)25-12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,13-14,16,25H,6,9,12,15H2,(H,26,27)
InChIKeyZRJRUQOIZHKANN-UHFFFAOYSA-N
XLogP4.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109233796
N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109231335
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223386
N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239083
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109236652
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235374
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109281812
N,N-diethyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109238757
N-[(2-chlorophenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109348601
5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109239035
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109328902

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide (CID 109233806) is N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide is O=C(NCc1ccccc1Cl)c1cncc(NCCCc2ccccc2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The InChIKey is ZRJRUQOIZHKANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-21-11-5-4-10-18(21)15-26-22(27)19-13-20(16-24-14-19)25-12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,13-14,16,25H,6,9,12,15H2,(H,26,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109233806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).