1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea

C15H17N3O — CID 6464451

IUPAC1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ncccc2C)c1
InChIInChI=1S/C15H17N3O/c1-10-7-11(2)9-13(8-10)17-15(19)18-14-12(3)5-4-6-16-14/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyNJJBUSNVMUYDPN-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.65
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea

1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea (PubChem CID 6464451) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea
PubChem CID6464451
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ncccc2C)c1
InChIInChI=1S/C15H17N3O/c1-10-7-11(2)9-13(8-10)17-15(19)18-14-12(3)5-4-6-16-14/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyNJJBUSNVMUYDPN-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

1-(3-methyl-2-pyridinyl)-3-(4-phenylphenyl)urea
CID 108867188
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide
CID 35032477
1-ethenyl-3-(3-methyl-2-pyridinyl)urea
CID 108909309
1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
CID 108866068
1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
CID 47385463
1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea
CID 17279836
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-[(E)-2,3-dimethylbut-1-enyl]-3-(3-methyl-2-pyridinyl)urea
CID 108914841
1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
CID 108867567

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea (CID 6464451) is 1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea is Cc1cc(C)cc(NC(=O)Nc2ncccc2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is NJJBUSNVMUYDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-7-11(2)9-13(8-10)17-15(19)18-14-12(3)5-4-6-16-14/h4-9H,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea?
1-(3,5-dimethylphenyl)-3-(3-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-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 6464451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).