1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea

C14H15N3O — CID 143942930

IUPAC1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea
SMILESCNC(=O)Nc1ccc(C)c(-c2ccncc2)c1
InChIInChI=1S/C14H15N3O/c1-10-3-4-12(17-14(18)15-2)9-13(10)11-5-7-16-8-6-11/h3-9H,1-2H3,(H2,15,17,18)
InChIKeyHPIMNQWXXXHBAT-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.81
Rot. Bonds2

About 1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea

1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea (PubChem CID 143942930) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea
PubChem CID143942930
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea
SMILESCNC(=O)Nc1ccc(C)c(-c2ccncc2)c1
InChIInChI=1S/C14H15N3O/c1-10-3-4-12(17-14(18)15-2)9-13(10)11-5-7-16-8-6-11/h3-9H,1-2H3,(H2,15,17,18)
InChIKeyHPIMNQWXXXHBAT-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 67185993
1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 115575822
1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea
CID 50995965
4-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
CID 44526072
1-amino-3-[4-methyl-3-(methylcarbamoylamino)phenyl]urea
CID 123491202
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
N-(4-methyl-3-phenylphenyl)-2-oxopropanamide
CID 110478364
methyl 4-methyl-3-[4-[(4-methyl-3-pyridinyl)carbamoylamino]phenyl]benzoate
CID 24829474
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
N-(4-methyl-3-thiophen-3-ylphenyl)prop-2-enamide
CID 166408377
2,4-dimethyl-5-pyridin-4-ylbenzoic acid
CID 107515528
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea?
The IUPAC name of 1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea (CID 143942930) is 1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea.
What is the SMILES notation for 1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea?
The canonical SMILES for 1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea is CNC(=O)Nc1ccc(C)c(-c2ccncc2)c1.
What is the InChIKey of 1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea?
The InChIKey is HPIMNQWXXXHBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-3-4-12(17-14(18)15-2)9-13(10)11-5-7-16-8-6-11/h3-9H,1-2H3,(H2,15,17,18).
What are the key properties of 1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea?
1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea has a molecular weight of 241.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea is sourced from PubChem (CID 143942930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).