N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide

C21H20ClN3O — CID 109170167

IUPACN-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NC(C)c3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H20ClN3O/c1-14-8-9-18(13-19(14)22)25-21(26)17-10-11-23-20(12-17)24-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,23,24)(H,25,26)
InChIKeyVWINGWVRRQORDE-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.47
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide

N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide (PubChem CID 109170167) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
PubChem CID109170167
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NC(C)c3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H20ClN3O/c1-14-8-9-18(13-19(14)22)25-21(26)17-10-11-23-20(12-17)24-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,23,24)(H,25,26)
InChIKeyVWINGWVRRQORDE-UHFFFAOYSA-N
XLogP5.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170171
N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347558
N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109177698
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109177701
N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256532
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 60709058

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide (CID 109170167) is N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NC(C)c3ccccc3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
The InChIKey is VWINGWVRRQORDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-8-9-18(13-19(14)22)25-21(26)17-10-11-23-20(12-17)24-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109170167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).