N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

C20H17Cl2N3O — CID 109232734

IUPACN-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cncc(C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C20H17Cl2N3O/c1-13-2-4-14(5-3-13)10-24-17-8-15(11-23-12-17)20(26)25-19-7-6-16(21)9-18(19)22/h2-9,11-12,24H,10H2,1H3,(H,25,26)
InChIKeyIHEQSGLNANPCMN-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.56
Rot. Bonds5

About N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232734) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232734
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC NameN-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cncc(C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C20H17Cl2N3O/c1-13-2-4-14(5-3-13)10-24-17-8-15(11-23-12-17)20(26)25-19-7-6-16(21)9-18(19)22/h2-9,11-12,24H,10H2,1H3,(H,25,26)
InChIKeyIHEQSGLNANPCMN-UHFFFAOYSA-N
XLogP5.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232671
N-(2-chloro-4,6-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232696
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
N-(3-chloro-4-methylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109234126
N-(2,4-dichlorophenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224323
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109234109
N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232741
N-(2,4-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223536
5-[(4-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109234113
N-(2,4-dimethylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234506
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232734) is N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccc(CNc2cncc(C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is IHEQSGLNANPCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-13-2-4-14(5-3-13)10-24-17-8-15(11-23-12-17)20(26)25-19-7-6-16(21)9-18(19)22/h2-9,11-12,24H,10H2,1H3,(H,25,26).
What are the key properties of N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 386.28 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).