N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide

C21H20ClN3O — CID 109158236

IUPACN-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C21H20ClN3O/c1-15-18(22)8-5-9-19(15)25-21(26)17-10-11-20(24-14-17)23-13-12-16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyXBCAZRGYYILWLR-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.95
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide

N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109158236) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
PubChem CID109158236
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(NCCc2ccccc2)nc1
InChIInChI=1S/C21H20ClN3O/c1-15-18(22)8-5-9-19(15)25-21(26)17-10-11-20(24-14-17)23-13-12-16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyXBCAZRGYYILWLR-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62186613
N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160795
N-(3-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042917
N-(2-methoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158244
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
6-[2-(3-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109161942
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307803
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166291
6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 109163558

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide (CID 109158236) is N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc(NCCc2ccccc2)nc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is XBCAZRGYYILWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-15-18(22)8-5-9-19(15)25-21(26)17-10-11-20(24-14-17)23-13-12-16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109158236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).