N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

C22H22ClN3O — CID 109232662

IUPACN-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cncc(C(=O)NCCc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C22H22ClN3O/c1-16-5-7-18(8-6-16)13-26-21-12-19(14-24-15-21)22(27)25-10-9-17-3-2-4-20(23)11-17/h2-8,11-12,14-15,26H,9-10,13H2,1H3,(H,25,27)
InChIKeyPRLIYICMRGENPN-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.63
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232662) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232662
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cncc(C(=O)NCCc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C22H22ClN3O/c1-16-5-7-18(8-6-16)13-26-21-12-19(14-24-15-21)22(27)25-10-9-17-3-2-4-20(23)11-17/h2-8,11-12,14-15,26H,9-10,13H2,1H3,(H,25,27)
InChIKeyPRLIYICMRGENPN-UHFFFAOYSA-N
XLogP4.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109241132
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109241131
N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239903
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109241150
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364
N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109229098
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232423

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232662) is N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccc(CNc2cncc(C(=O)NCCc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is PRLIYICMRGENPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-16-5-7-18(8-6-16)13-26-21-12-19(14-24-15-21)22(27)25-10-9-17-3-2-4-20(23)11-17/h2-8,11-12,14-15,26H,9-10,13H2,1H3,(H,25,27).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).