2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide

C22H23ClN4O — CID 109176002

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(NCCc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C22H23ClN4O/c1-27(2)20-8-6-19(7-9-20)26-22(28)17-11-13-25-21(15-17)24-12-10-16-4-3-5-18(23)14-16/h3-9,11,13-15H,10,12H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyVQRVNAUAEPEMAO-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.71
Rot. Bonds7

About 2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide

2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide (PubChem CID 109176002) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide
PubChem CID109176002
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(NCCc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C22H23ClN4O/c1-27(2)20-8-6-19(7-9-20)26-22(28)17-11-13-25-21(15-17)24-12-10-16-4-3-5-18(23)14-16/h3-9,11,13-15H,10,12H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyVQRVNAUAEPEMAO-UHFFFAOYSA-N
XLogP4.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109175993
N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166952
N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172686
N-[4-(dimethylamino)phenyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62168755
N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
CID 109169452
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109173853
2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109175999
2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
N-(4-ethoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172946
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087819
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide (CID 109176002) is 2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide is CN(C)c1ccc(NC(=O)c2ccnc(NCCc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide?
The InChIKey is VQRVNAUAEPEMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-27(2)20-8-6-19(7-9-20)26-22(28)17-11-13-25-21(15-17)24-12-10-16-4-3-5-18(23)14-16/h3-9,11,13-15H,10,12H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide?
2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109176002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).