1-phenyl-3-pyridin-4-ylurea

C12H11N3O — CID 4074688

IUPAC1-phenyl-3-pyridin-4-ylurea
SMILESO=C(Nc1ccccc1)Nc1ccncc1
InChIInChI=1S/C12H11N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h1-9H,(H2,13,14,15,16)
InChIKeyWZYOSMAXXLCTGP-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.73
Rot. Bonds2

About 1-phenyl-3-pyridin-4-ylurea

1-phenyl-3-pyridin-4-ylurea (PubChem CID 4074688) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-phenyl-3-pyridin-4-ylurea
PubChem CID4074688
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1-phenyl-3-pyridin-4-ylurea
SMILESO=C(Nc1ccccc1)Nc1ccncc1
InChIInChI=1S/C12H11N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h1-9H,(H2,13,14,15,16)
InChIKeyWZYOSMAXXLCTGP-UHFFFAOYSA-N
XLogP2.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-4-ylurea?
The IUPAC name of 1-phenyl-3-pyridin-4-ylurea (CID 4074688) is 1-phenyl-3-pyridin-4-ylurea.
What is the SMILES notation for 1-phenyl-3-pyridin-4-ylurea?
The canonical SMILES for 1-phenyl-3-pyridin-4-ylurea is O=C(Nc1ccccc1)Nc1ccncc1.
What is the InChIKey of 1-phenyl-3-pyridin-4-ylurea?
The InChIKey is WZYOSMAXXLCTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h1-9H,(H2,13,14,15,16).
What are the key properties of 1-phenyl-3-pyridin-4-ylurea?
1-phenyl-3-pyridin-4-ylurea has a molecular weight of 213.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-4-ylurea is sourced from PubChem (CID 4074688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).