1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea

C20H19N3O — CID 110706293

IUPAC1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3O/c24-20(22-15-18-10-7-13-21-14-18)23(19-11-5-2-6-12-19)16-17-8-3-1-4-9-17/h1-14H,15-16H2,(H,22,24)
InChIKeyFUKHHTYFCNNKHF-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.00
Rot. Bonds5

About 1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea

1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea (PubChem CID 110706293) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
PubChem CID110706293
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3O/c24-20(22-15-18-10-7-13-21-14-18)23(19-11-5-2-6-12-19)16-17-8-3-1-4-9-17/h1-14H,15-16H2,(H,22,24)
InChIKeyFUKHHTYFCNNKHF-UHFFFAOYSA-N
XLogP4.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea
CID 110426401
1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976890
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide
CID 140758363
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
1-benzyl-3-[(3-fluorophenyl)methyl]-1-phenylurea
CID 108898536
3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
CID 140895002
N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046086
1-benzyl-3-[(2-chlorophenyl)methyl]-1-phenylurea
CID 108897704

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea (CID 110706293) is 1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea?
The InChIKey is FUKHHTYFCNNKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(22-15-18-10-7-13-21-14-18)23(19-11-5-2-6-12-19)16-17-8-3-1-4-9-17/h1-14H,15-16H2,(H,22,24).
What are the key properties of 1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea?
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea has a molecular weight of 317.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 110706293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).