N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide

C23H24N4O2 — CID 110650851

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3c(-c4ccccc4)cc[nH]c3=O)cc2)CC1
InChIInChI=1S/C23H24N4O2/c1-26-13-15-27(16-14-26)19-9-7-18(8-10-19)25-23(29)21-20(11-12-24-22(21)28)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,24,28)(H,25,29)
InChIKeyHCUDUZYPQACPBE-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.05
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide (PubChem CID 110650851) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide
PubChem CID110650851
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3c(-c4ccccc4)cc[nH]c3=O)cc2)CC1
InChIInChI=1S/C23H24N4O2/c1-26-13-15-27(16-14-26)19-9-7-18(8-10-19)25-23(29)21-20(11-12-24-22(21)28)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,24,28)(H,25,29)
InChIKeyHCUDUZYPQACPBE-UHFFFAOYSA-N
XLogP3.05
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.05
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

4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 127030119
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyridine-3-carboxamide
CID 171622753
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-[(1-oxo-2H-isoquinolin-6-yl)amino]-1H-pyridine-3-carboxamide
CID 171622477
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxo-1H-pyridine-3-carboxamide
CID 171622457
N-(3-methylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxamide
CID 110649588
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171622693
4-[[4-(dimethylamino)cyclohexyl]amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171622618
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-[[3-(trifluoromethoxy)-2-pyridinyl]amino]-1H-pyridine-3-carboxamide
CID 171622784
N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110862549
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
4-[(4-hydroxycyclohexyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 171622536

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide (CID 110650851) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide is CN1CCN(c2ccc(NC(=O)c3c(-c4ccccc4)cc[nH]c3=O)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is HCUDUZYPQACPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-26-13-15-27(16-14-26)19-9-7-18(8-10-19)25-23(29)21-20(11-12-24-22(21)28)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110650851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).