1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea

C21H21N3O2 — CID 1450089

IUPAC1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCc1ccc(Cn2cccc(NC(=O)NCc3ccccc3)c2=O)cc1
InChIInChI=1S/C21H21N3O2/c1-16-9-11-18(12-10-16)15-24-13-5-8-19(20(24)25)23-21(26)22-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H2,22,23,26)
InChIKeyPLDTZERDBKVUMC-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.53
Rot. Bonds5

About 1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea

1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea (PubChem CID 1450089) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
PubChem CID1450089
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCc1ccc(Cn2cccc(NC(=O)NCc3ccccc3)c2=O)cc1
InChIInChI=1S/C21H21N3O2/c1-16-9-11-18(12-10-16)15-24-13-5-8-19(20(24)25)23-21(26)22-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H2,22,23,26)
InChIKeyPLDTZERDBKVUMC-UHFFFAOYSA-N
XLogP3.53
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea 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

6-Amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2392273
6-Amino-5-benzylamino-1-butyl-1H-pyrimidine-2,4-dione
CID 2341173
1-Hydroxy-6-[(4-Phenylbenzyl)carbamoyl]-2-pyridinone
CID 24857924
5-(Benzylamino)pyrimidine-2,4(1h,3h)-dione
CID 273579
6-Amino-1-benzyl-5-methylaminouracil
CID 726225
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-ethylacetamide
CID 2096792
6-Amino-1-benzyl-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2344558
6-Amino-1-benzyl-5-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363702
5-(1-Phenyl-ethylamino)-1H-pyrimidine-2,4-dione
CID 3161634
2-(3-Cyano-2-oxo-6-p-tolyl-2H-pyridin-1-yl)-N,N-dimethyl-acetamide
CID 6488607
N-[1-(2-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-3-methyl-butyramide
CID 6488626
N-[1-(3-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-3-methyl-butyramide
CID 6488664

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea (CID 1450089) is 1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea is Cc1ccc(Cn2cccc(NC(=O)NCc3ccccc3)c2=O)cc1.
What is the InChIKey of 1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The InChIKey is PLDTZERDBKVUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-9-11-18(12-10-16)15-24-13-5-8-19(20(24)25)23-21(26)22-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H2,22,23,26).
What are the key properties of 1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea has a molecular weight of 347.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 1450089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).