1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea

C15H17N3O2 — CID 2815594

IUPAC1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cn1
InChIInChI=1S/C15H17N3O2/c1-10-6-11(2)8-13(7-10)18-15(19)17-12-4-5-14(20-3)16-9-12/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyBNQVUQSZXQSEBE-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.35
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea

1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 2815594) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea
PubChem CID2815594
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cn1
InChIInChI=1S/C15H17N3O2/c1-10-6-11(2)8-13(7-10)18-15(19)17-12-4-5-14(20-3)16-9-12/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyBNQVUQSZXQSEBE-UHFFFAOYSA-N
XLogP3.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea (CID 2815594) is 1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea is COc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cn1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea?
The InChIKey is BNQVUQSZXQSEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-6-11(2)8-13(7-10)18-15(19)17-12-4-5-14(20-3)16-9-12/h4-9H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea?
1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 271.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 2815594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).