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

C15H17N3O — CID 108898245

IUPAC1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCc1cccc(CNC(=O)Nc2cc(C)ccn2)c1
InChIInChI=1S/C15H17N3O/c1-11-4-3-5-13(8-11)10-17-15(19)18-14-9-12(2)6-7-16-14/h3-9H,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyMSYNFEGJMOELSL-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.02
Rot. Bonds3

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

1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea (PubChem CID 108898245) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
PubChem CID108898245
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCc1cccc(CNC(=O)Nc2cc(C)ccn2)c1
InChIInChI=1S/C15H17N3O/c1-11-4-3-5-13(8-11)10-17-15(19)18-14-9-12(2)6-7-16-14/h3-9H,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyMSYNFEGJMOELSL-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

ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900861
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
2-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 62235984
1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea
CID 144599326
1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898437
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-[(3-methylphenyl)methyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871988
N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999915
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea (CID 108898245) is 1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea is Cc1cccc(CNC(=O)Nc2cc(C)ccn2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is MSYNFEGJMOELSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-4-3-5-13(8-11)10-17-15(19)18-14-9-12(2)6-7-16-14/h3-9H,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
1-[(3-methylphenyl)methyl]-3-(4-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-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108898245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).