4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide

C22H23ClN4O2 — CID 25192202

IUPAC4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2c(NCCc3cccc(Cl)c3)cc[nH]c2=O)cc1
InChIInChI=1S/C22H23ClN4O2/c1-27(2)18-8-6-17(7-9-18)26-22(29)20-19(11-13-25-21(20)28)24-12-10-15-4-3-5-16(23)14-15/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,29)(H2,24,25,28)
InChIKeyJUOKRSVRPCWHDD-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.00
Rot. Bonds7

About 4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide

4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 25192202) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID25192202
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2c(NCCc3cccc(Cl)c3)cc[nH]c2=O)cc1
InChIInChI=1S/C22H23ClN4O2/c1-27(2)18-8-6-17(7-9-18)26-22(29)20-19(11-13-25-21(20)28)24-12-10-15-4-3-5-16(23)14-15/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,29)(H2,24,25,28)
InChIKeyJUOKRSVRPCWHDD-UHFFFAOYSA-N
XLogP4.00
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.00
H-Bond Donors ≤ 53
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

4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 25191767
2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 109176002
2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide
CID 25192775
2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008440
N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109126338
N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide
CID 108986567
4-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109218509
N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide
CID 112985705
N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide
CID 110856202
1-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)phenyl]ethyl]urea
CID 110307179
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351338

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide (CID 25192202) is 4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2c(NCCc3cccc(Cl)c3)cc[nH]c2=O)cc1.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JUOKRSVRPCWHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-27(2)18-8-6-17(7-9-18)26-22(29)20-19(11-13-25-21(20)28)24-12-10-15-4-3-5-16(23)14-15/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,29)(H2,24,25,28).
What are the key properties of 4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide?
4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25192202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).