N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide

C21H20ClN3O — CID 109210753

IUPACN-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCC(Nc1ccnc(C(=O)NCc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C21H20ClN3O/c1-15(16-7-3-2-4-8-16)25-18-11-12-23-20(13-18)21(26)24-14-17-9-5-6-10-19(17)22/h2-13,15H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyDRHGBTBIXLJVKF-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.84
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide

N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109210753) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
PubChem CID109210753
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCC(Nc1ccnc(C(=O)NCc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C21H20ClN3O/c1-15(16-7-3-2-4-8-16)25-18-11-12-23-20(13-18)21(26)24-14-17-9-5-6-10-19(17)22/h2-13,15H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyDRHGBTBIXLJVKF-UHFFFAOYSA-N
XLogP4.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210755
N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210757
N-[2-(3-chlorophenyl)ethyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210794
N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201907
4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109211673
N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210797
N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210807
2-N-[(2-chlorophenyl)methyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109086683
N-[(2-chlorophenyl)methyl]-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109211690
N-(4-acetylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210842
4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109201013

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide (CID 109210753) is N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide is CC(Nc1ccnc(C(=O)NCc2ccccc2Cl)c1)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is DRHGBTBIXLJVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-15(16-7-3-2-4-8-16)25-18-11-12-23-20(13-18)21(26)24-14-17-9-5-6-10-19(17)22/h2-13,15H,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109210753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).