1-(3-methyl-2-pyridinyl)-3-phenylurea

C13H13N3O — CID 790718

IUPAC1-(3-methyl-2-pyridinyl)-3-phenylurea
SMILESCc1cccnc1NC(=O)Nc1ccccc1
InChIInChI=1S/C13H13N3O/c1-10-6-5-9-14-12(10)16-13(17)15-11-7-3-2-4-8-11/h2-9H,1H3,(H2,14,15,16,17)
InChIKeyIKDYBHFQQDWWKB-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.03
Rot. Bonds2

About 1-(3-methyl-2-pyridinyl)-3-phenylurea

1-(3-methyl-2-pyridinyl)-3-phenylurea (PubChem CID 790718) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-phenylurea
PubChem CID790718
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(3-methyl-2-pyridinyl)-3-phenylurea
SMILESCc1cccnc1NC(=O)Nc1ccccc1
InChIInChI=1S/C13H13N3O/c1-10-6-5-9-14-12(10)16-13(17)15-11-7-3-2-4-8-11/h2-9H,1H3,(H2,14,15,16,17)
InChIKeyIKDYBHFQQDWWKB-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-phenylurea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-phenylurea (CID 790718) is 1-(3-methyl-2-pyridinyl)-3-phenylurea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-phenylurea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-phenylurea is Cc1cccnc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-phenylurea?
The InChIKey is IKDYBHFQQDWWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-6-5-9-14-12(10)16-13(17)15-11-7-3-2-4-8-11/h2-9H,1H3,(H2,14,15,16,17).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-phenylurea?
1-(3-methyl-2-pyridinyl)-3-phenylurea has a molecular weight of 227.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-phenylurea is sourced from PubChem (CID 790718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).