1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one

C24H21ClN2O3 — CID 112803701

IUPAC1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one
SMILESO=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H21ClN2O3/c25-22-4-2-1-3-19(22)15-27-16-20(7-10-23(27)29)24(30)26-13-11-18(12-14-26)17-5-8-21(28)9-6-17/h1-11,16,28H,12-15H2
InChIKeyWVIKEQQBIWZNAU-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.19
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one

1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one (PubChem CID 112803701) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one
PubChem CID112803701
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one
SMILESO=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H21ClN2O3/c25-22-4-2-1-3-19(22)15-27-16-20(7-10-23(27)29)24(30)26-13-11-18(12-14-26)17-5-8-21(28)9-6-17/h1-11,16,28H,12-15H2
InChIKeyWVIKEQQBIWZNAU-UHFFFAOYSA-N
XLogP4.19
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one 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

1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528245
(3S,4S)-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953492
5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one
CID 119469651
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide
CID 24550444
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 38168481
(5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 167849084
1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one
CID 112813442
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383
1-[(2-chlorophenyl)methyl]-N-methyl-N-(1-methylcyclobutyl)-6-oxopyridine-3-carboxamide
CID 166315489
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877544

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one (CID 112803701) is 1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one is O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one?
The InChIKey is WVIKEQQBIWZNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c25-22-4-2-1-3-19(22)15-27-16-20(7-10-23(27)29)24(30)26-13-11-18(12-14-26)17-5-8-21(28)9-6-17/h1-11,16,28H,12-15H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one?
1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one has a molecular weight of 420.90 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 112803701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).