N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide

C21H20ClN3O — CID 109189031

IUPACN-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(NC(C)c2ccccc2)cn1
InChIInChI=1S/C21H20ClN3O/c1-14-18(22)9-6-10-19(14)25-21(26)20-12-11-17(13-23-20)24-15(2)16-7-4-3-5-8-16/h3-13,15,24H,1-2H3,(H,25,26)
InChIKeyVKFOGAHBDPBALF-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.47
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide

N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109189031) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
PubChem CID109189031
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(NC(C)c2ccccc2)cn1
InChIInChI=1S/C21H20ClN3O/c1-14-18(22)9-6-10-19(14)25-21(26)20-12-11-17(13-23-20)24-15(2)16-7-4-3-5-8-16/h3-13,15,24H,1-2H3,(H,25,26)
InChIKeyVKFOGAHBDPBALF-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-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179356
5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109199329
N-(5-methyl-1,2-oxazol-3-yl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189087
N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109182921
N-(3-chloro-2-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267962
N-(2,6-dichlorophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179818
N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210797
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109287739
1-(3-chloro-2-methylphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8656271
5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107096027
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide (CID 109189031) is N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc(NC(C)c2ccccc2)cn1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is VKFOGAHBDPBALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-18(22)9-6-10-19(14)25-21(26)20-12-11-17(13-23-20)24-15(2)16-7-4-3-5-8-16/h3-13,15,24H,1-2H3,(H,25,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-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-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109189031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).