N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide

C23H22Cl2N2O4 — CID 90342535

IUPACN-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide
SMILESO=C(NCCCc1ccc(Cl)c(Cl)c1)c1ccn(C(O)Cc2ccccc2)c(=O)c1O
InChIInChI=1S/C23H22Cl2N2O4/c24-18-9-8-16(13-19(18)25)7-4-11-26-22(30)17-10-12-27(23(31)21(17)29)20(28)14-15-5-2-1-3-6-15/h1-3,5-6,8-10,12-13,20,28-29H,4,7,11,14H2,(H,26,30)
InChIKeyVZRAKNIWZRQMTH-UHFFFAOYSA-N
MW461.35 g/mol
LogP3.96
Rot. Bonds8

About N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide

N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide (PubChem CID 90342535) has the molecular formula C23H22Cl2N2O4 and a molecular weight of 461.35 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide
PubChem CID90342535
Molecular FormulaC23H22Cl2N2O4
Molecular Weight461.35 g/mol
Exact Mass460.10
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide
SMILESO=C(NCCCc1ccc(Cl)c(Cl)c1)c1ccn(C(O)Cc2ccccc2)c(=O)c1O
InChIInChI=1S/C23H22Cl2N2O4/c24-18-9-8-16(13-19(18)25)7-4-11-26-22(30)17-10-12-27(23(31)21(17)29)20(28)14-15-5-2-1-3-6-15/h1-3,5-6,8-10,12-13,20,28-29H,4,7,11,14H2,(H,26,30)
InChIKeyVZRAKNIWZRQMTH-UHFFFAOYSA-N
XLogP3.96
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxamide
CID 89489395
N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 71547310
N-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 71547967
N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide
CID 71547881
N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide)
CID 158851843
N-[3-(3,4-dichlorophenyl)propyl]-1-methyl-3-(methylamino)-2-oxoquinoline-4-carboxamide
CID 89491205
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-[(2S)-2-phenylpropyl]-2H-pyrrole-3-carboxamide
CID 90302376
2-(2-chlorophenyl)-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489304
N-[2-(3,4-dichlorophenyl)ethyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide
CID 127028743
6-chloro-N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
CID 89478174
[4-[3-(3,4-dichlorophenyl)propylcarbamoyl]-1-methyl-2-oxoquinolin-3-yl] trifluoromethanesulfonate
CID 90355540
3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-phenylpropyl)propanamide
CID 8799270

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide (CID 90342535) is N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide is O=C(NCCCc1ccc(Cl)c(Cl)c1)c1ccn(C(O)Cc2ccccc2)c(=O)c1O.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide?
The InChIKey is VZRAKNIWZRQMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4/c24-18-9-8-16(13-19(18)25)7-4-11-26-22(30)17-10-12-27(23(31)21(17)29)20(28)14-15-5-2-1-3-6-15/h1-3,5-6,8-10,12-13,20,28-29H,4,7,11,14H2,(H,26,30).
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide?
N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide has a molecular weight of 461.35 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-(1-hydroxy-2-phenylethyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 90342535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).