1-benzhydryl-3-(3-methyl-2-pyridinyl)urea

C20H19N3O — CID 108867567

IUPAC1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3O/c1-15-9-8-14-21-19(15)23-20(24)22-18(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14,18H,1H3,(H2,21,22,23,24)
InChIKeyKMNNQFDEMJEBKH-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.30
Rot. Bonds4

About 1-benzhydryl-3-(3-methyl-2-pyridinyl)urea

1-benzhydryl-3-(3-methyl-2-pyridinyl)urea (PubChem CID 108867567) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-benzhydryl-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
PubChem CID108867567
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3O/c1-15-9-8-14-21-19(15)23-20(24)22-18(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14,18H,1H3,(H2,21,22,23,24)
InChIKeyKMNNQFDEMJEBKH-UHFFFAOYSA-N
XLogP4.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzhydryl-3-(3-methyl-2-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

N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3398462
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
1-(3-methyl-2-pyridinyl)-3-(4-phenylphenyl)urea
CID 108867188
1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone
CID 71528165
1-(3-methyl-2-pyridinyl)-3-(2-phenylpropan-2-yl)urea
CID 47447190
2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide
CID 27896934
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
CID 108866068
1-ethenyl-3-(3-methyl-2-pyridinyl)urea
CID 108909309
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-[(E)-2,3-dimethylbut-1-enyl]-3-(3-methyl-2-pyridinyl)urea
CID 108914841
1-(3-methyl-2-pyridinyl)-3-[1-[(3-methyl-2-pyridinyl)carbamoylamino]pentan-3-yl]urea
CID 47076572

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-benzhydryl-3-(3-methyl-2-pyridinyl)urea (CID 108867567) is 1-benzhydryl-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-benzhydryl-3-(3-methyl-2-pyridinyl)urea is Cc1cccnc1NC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is KMNNQFDEMJEBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-9-8-14-21-19(15)23-20(24)22-18(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14,18H,1H3,(H2,21,22,23,24).
What are the key properties of 1-benzhydryl-3-(3-methyl-2-pyridinyl)urea?
1-benzhydryl-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 317.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108867567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).