1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea

C17H19ClN4O — CID 53250438

IUPAC1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea
SMILESO=C(Nc1ccc(C2CCCNC2)cc1)Nc1ccc(Cl)nc1
InChIInChI=1S/C17H19ClN4O/c18-16-8-7-15(11-20-16)22-17(23)21-14-5-3-12(4-6-14)13-2-1-9-19-10-13/h3-8,11,13,19H,1-2,9-10H2,(H2,21,22,23)
InChIKeySTKCACIZYPMJTG-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.85
Rot. Bonds3

About 1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea

1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea (PubChem CID 53250438) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea
PubChem CID53250438
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea
SMILESO=C(Nc1ccc(C2CCCNC2)cc1)Nc1ccc(Cl)nc1
InChIInChI=1S/C17H19ClN4O/c18-16-8-7-15(11-20-16)22-17(23)21-14-5-3-12(4-6-14)13-2-1-9-19-10-13/h3-8,11,13,19H,1-2,9-10H2,(H2,21,22,23)
InChIKeySTKCACIZYPMJTG-UHFFFAOYSA-N
XLogP3.85
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea (CID 53250438) is 1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea is O=C(Nc1ccc(C2CCCNC2)cc1)Nc1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea?
The InChIKey is STKCACIZYPMJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-16-8-7-15(11-20-16)22-17(23)21-14-5-3-12(4-6-14)13-2-1-9-19-10-13/h3-8,11,13,19H,1-2,9-10H2,(H2,21,22,23).
What are the key properties of 1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea?
1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea has a molecular weight of 330.82 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-3-(4-piperidin-3-ylphenyl)urea is sourced from PubChem (CID 53250438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).