1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea

C15H17N3O — CID 769350

IUPAC1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17N3O/c1-10-7-8-13(9-11(10)2)17-15(19)18-14-6-4-5-12(3)16-14/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyIPMJRPNBEDTQGJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.65
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea

1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 769350) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID769350
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17N3O/c1-10-7-8-13(9-11(10)2)17-15(19)18-14-6-4-5-12(3)16-14/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyIPMJRPNBEDTQGJ-UHFFFAOYSA-N
XLogP3.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N-(6-Methyl-2-pyridinyl)-N'-phenylurea
CID 306458
1,3-Dihydro-7,8-dimethyl-2H-imidazo(4,5-b)quinolin-2-one
CID 5487281
N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide
CID 11658882
8-Methyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15065156
1-(4-Fluorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 310683
N-(4,6-dimethylpyridin-2-yl)-2-phenylbutanamide
CID 2852109
(4-Dimethylamino-benzyl)-(6-methyl-pyridin-2-yl)-amine
CID 975714
Urea, N-phenyl-N'-2-quinolinyl-
CID 2812761
6-Phenylpyridin-2-amine
CID 598430
[5-(2,3-Dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea
CID 155524694
N-[6-(2,3-dimethylphenyl)-4-(methylamino)-2-pyridinyl]acetamide
CID 155527650

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea (CID 769350) is 1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is IPMJRPNBEDTQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-7-8-13(9-11(10)2)17-15(19)18-14-6-4-5-12(3)16-14/h4-9H,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea?
1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 255.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 769350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).