1-cyclohexyl-3-pyridin-4-ylurea

C12H17N3O — CID 4580695

IUPAC1-cyclohexyl-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)NC1CCCCC1
InChIInChI=1S/C12H17N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h6-10H,1-5H2,(H2,13,14,15,16)
InChIKeyCQSQWHFDVZITNP-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.54
Rot. Bonds2

About 1-cyclohexyl-3-pyridin-4-ylurea

1-cyclohexyl-3-pyridin-4-ylurea (PubChem CID 4580695) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-cyclohexyl-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-pyridin-4-ylurea
PubChem CID4580695
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-cyclohexyl-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)NC1CCCCC1
InChIInChI=1S/C12H17N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h6-10H,1-5H2,(H2,13,14,15,16)
InChIKeyCQSQWHFDVZITNP-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-pyridin-4-ylurea?
The IUPAC name of 1-cyclohexyl-3-pyridin-4-ylurea (CID 4580695) is 1-cyclohexyl-3-pyridin-4-ylurea.
What is the SMILES notation for 1-cyclohexyl-3-pyridin-4-ylurea?
The canonical SMILES for 1-cyclohexyl-3-pyridin-4-ylurea is O=C(Nc1ccncc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-pyridin-4-ylurea?
The InChIKey is CQSQWHFDVZITNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h6-10H,1-5H2,(H2,13,14,15,16).
What are the key properties of 1-cyclohexyl-3-pyridin-4-ylurea?
1-cyclohexyl-3-pyridin-4-ylurea has a molecular weight of 219.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-pyridin-4-ylurea is sourced from PubChem (CID 4580695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).