1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea

C15H17N3O — CID 138691564

IUPAC1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea
SMILESCc1cncc(CNC(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-12-7-14(9-16-8-12)11-18-15(19)17-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyKZDLYWZOJNGNPR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.39
Rot. Bonds4

About 1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea

1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea (PubChem CID 138691564) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea
PubChem CID138691564
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea
SMILESCc1cncc(CNC(=O)NCc2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-12-7-14(9-16-8-12)11-18-15(19)17-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyKZDLYWZOJNGNPR-UHFFFAOYSA-N
XLogP2.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]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

1-benzyl-3-[(5-ethyl-3-pyridinyl)methyl]urea;molecular hydrogen
CID 142430760
(2R)-2-amino-N-[(5-methyl-3-pyridinyl)methyl]propanamide
CID 131176705
1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 99822609
1-[(3S)-hex-5-en-3-yl]-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 129432308
1-benzyl-3-methylurea;ethane
CID 90763782
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
N-benzylacetamide;toluene
CID 175498463

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea (CID 138691564) is 1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea is Cc1cncc(CNC(=O)NCc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea?
The InChIKey is KZDLYWZOJNGNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-7-14(9-16-8-12)11-18-15(19)17-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea?
1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea has a molecular weight of 255.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 138691564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).