N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide

C20H18ClN3O — CID 109232423

IUPACN-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2cncc(C(=O)Nc3cccc(Cl)c3)c2)c1
InChIInChI=1S/C20H18ClN3O/c1-14-4-2-5-15(8-14)11-23-19-9-16(12-22-13-19)20(25)24-18-7-3-6-17(21)10-18/h2-10,12-13,23H,11H2,1H3,(H,24,25)
InChIKeyPATAMIJTCXMHBD-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.91
Rot. Bonds5

About N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide

N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232423) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232423
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2cncc(C(=O)Nc3cccc(Cl)c3)c2)c1
InChIInChI=1S/C20H18ClN3O/c1-14-4-2-5-15(8-14)11-23-19-9-16(12-22-13-19)20(25)24-18-7-3-6-17(21)10-18/h2-10,12-13,23H,11H2,1H3,(H,24,25)
InChIKeyPATAMIJTCXMHBD-UHFFFAOYSA-N
XLogP4.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232433
N-(3,4-dimethoxyphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232444
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
5-(benzylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109231930
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
5-(3,5-dichloroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241902
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232132
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232423) is N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1cccc(CNc2cncc(C(=O)Nc3cccc(Cl)c3)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is PATAMIJTCXMHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-4-2-5-15(8-14)11-23-19-9-16(12-22-13-19)20(25)24-18-7-3-6-17(21)10-18/h2-10,12-13,23H,11H2,1H3,(H,24,25).
What are the key properties of N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).