1-(4-methylphenyl)-3-pyridin-3-ylurea

C13H13N3O — CID 790714

IUPAC1-(4-methylphenyl)-3-pyridin-3-ylurea
SMILESCc1ccc(NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H13N3O/c1-10-4-6-11(7-5-10)15-13(17)16-12-3-2-8-14-9-12/h2-9H,1H3,(H2,15,16,17)
InChIKeyXSLYKIOJGJDUTR-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.03
Rot. Bonds2

About 1-(4-methylphenyl)-3-pyridin-3-ylurea

1-(4-methylphenyl)-3-pyridin-3-ylurea (PubChem CID 790714) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-pyridin-3-ylurea
PubChem CID790714
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-(4-methylphenyl)-3-pyridin-3-ylurea
SMILESCc1ccc(NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H13N3O/c1-10-4-6-11(7-5-10)15-13(17)16-12-3-2-8-14-9-12/h2-9H,1H3,(H2,15,16,17)
InChIKeyXSLYKIOJGJDUTR-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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Related Compounds

1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea
CID 108892981
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(4-methylphenyl)-3-pyridin-3-ylurea (CID 790714) is 1-(4-methylphenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(4-methylphenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(4-methylphenyl)-3-pyridin-3-ylurea is Cc1ccc(NC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-pyridin-3-ylurea?
The InChIKey is XSLYKIOJGJDUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-4-6-11(7-5-10)15-13(17)16-12-3-2-8-14-9-12/h2-9H,1H3,(H2,15,16,17).
What are the key properties of 1-(4-methylphenyl)-3-pyridin-3-ylurea?
1-(4-methylphenyl)-3-pyridin-3-ylurea 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-(4-methylphenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 790714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).