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

C16H19N3O — CID 6464443

IUPAC1-(4-butylphenyl)-3-pyridin-3-ylurea
SMILESCCCCc1ccc(NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H19N3O/c1-2-3-5-13-7-9-14(10-8-13)18-16(20)19-15-6-4-11-17-12-15/h4,6-12H,2-3,5H2,1H3,(H2,18,19,20)
InChIKeyKIQSFUOATLEJCQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.07
Rot. Bonds5

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

1-(4-butylphenyl)-3-pyridin-3-ylurea (PubChem CID 6464443) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-pyridin-3-ylurea
PubChem CID6464443
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(4-butylphenyl)-3-pyridin-3-ylurea
SMILESCCCCc1ccc(NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H19N3O/c1-2-3-5-13-7-9-14(10-8-13)18-16(20)19-15-6-4-11-17-12-15/h4,6-12H,2-3,5H2,1H3,(H2,18,19,20)
InChIKeyKIQSFUOATLEJCQ-UHFFFAOYSA-N
XLogP4.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(4-butylphenyl)-3-pyridin-3-ylurea (CID 6464443) is 1-(4-butylphenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(4-butylphenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(4-butylphenyl)-3-pyridin-3-ylurea is CCCCc1ccc(NC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-pyridin-3-ylurea?
The InChIKey is KIQSFUOATLEJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-3-5-13-7-9-14(10-8-13)18-16(20)19-15-6-4-11-17-12-15/h4,6-12H,2-3,5H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-butylphenyl)-3-pyridin-3-ylurea?
1-(4-butylphenyl)-3-pyridin-3-ylurea has a molecular weight of 269.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 6464443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).