N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide

C21H20ClN3O — CID 109160795

IUPACN-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C21H20ClN3O/c22-18-10-4-5-11-19(18)25-21(26)17-12-13-20(24-15-17)23-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13,15H,6,9,14H2,(H,23,24)(H,25,26)
InChIKeyKFNIWMJUTGNSPO-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.03
Rot. Bonds7

About N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide

N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide (PubChem CID 109160795) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
PubChem CID109160795
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C21H20ClN3O/c22-18-10-4-5-11-19(18)25-21(26)17-12-13-20(24-15-17)23-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13,15H,6,9,14H2,(H,23,24)(H,25,26)
InChIKeyKFNIWMJUTGNSPO-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-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160785
N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158236
N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160796
N-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
N-(2-methoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158244
N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155684
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109155556
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide (CID 109160795) is N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide is O=C(Nc1ccccc1Cl)c1ccc(NCCCc2ccccc2)nc1.
What is the InChIKey of N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The InChIKey is KFNIWMJUTGNSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-18-10-4-5-11-19(18)25-21(26)17-12-13-20(24-15-17)23-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13,15H,6,9,14H2,(H,23,24)(H,25,26).
What are the key properties of N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
N-(2-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-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109160795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).