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

C15H17N3O — CID 108897270

IUPAC1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
SMILESCc1ccccc1CNC(=O)Nc1ncccc1C
InChIInChI=1S/C15H17N3O/c1-11-6-3-4-8-13(11)10-17-15(19)18-14-12(2)7-5-9-16-14/h3-9H,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyDSASULDQFVKMRX-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.02
Rot. Bonds3

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

1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea (PubChem CID 108897270) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
PubChem CID108897270
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
SMILESCc1ccccc1CNC(=O)Nc1ncccc1C
InChIInChI=1S/C15H17N3O/c1-11-6-3-4-8-13(11)10-17-15(19)18-14-12(2)7-5-9-16-14/h3-9H,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyDSASULDQFVKMRX-UHFFFAOYSA-N
XLogP3.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 47236047
2-(2-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 60615989
1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 47235934
1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
CID 108897307
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea
CID 108814230
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
CID 108866068
1-ethenyl-3-(3-methyl-2-pyridinyl)urea
CID 108909309
1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
CID 108867567

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea (CID 108897270) is 1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea is Cc1ccccc1CNC(=O)Nc1ncccc1C.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is DSASULDQFVKMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-6-3-4-8-13(11)10-17-15(19)18-14-12(2)7-5-9-16-14/h3-9H,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea?
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 255.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108897270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).