1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea

C14H15N3O — CID 18101887

IUPAC1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea
SMILESCc1cccc(NC(=O)Nc2cccnc2)c1C
InChIInChI=1S/C14H15N3O/c1-10-5-3-7-13(11(10)2)17-14(18)16-12-6-4-8-15-9-12/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyITCOBCCPEGDMTL-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.34
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea

1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea (PubChem CID 18101887) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea
PubChem CID18101887
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea
SMILESCc1cccc(NC(=O)Nc2cccnc2)c1C
InChIInChI=1S/C14H15N3O/c1-10-5-3-7-13(11(10)2)17-14(18)16-12-6-4-8-15-9-12/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyITCOBCCPEGDMTL-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea (CID 18101887) is 1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea is Cc1cccc(NC(=O)Nc2cccnc2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea?
The InChIKey is ITCOBCCPEGDMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-5-3-7-13(11(10)2)17-14(18)16-12-6-4-8-15-9-12/h3-9H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea?
1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea has a molecular weight of 241.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 18101887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).