1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea

C19H22ClN3O2 — CID 1450077

IUPAC1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea
SMILESO=C(Nc1cccn(Cc2ccccc2Cl)c1=O)NC1CCCCC1
InChIInChI=1S/C19H22ClN3O2/c20-16-10-5-4-7-14(16)13-23-12-6-11-17(18(23)24)22-19(25)21-15-8-2-1-3-9-15/h4-7,10-12,15H,1-3,8-9,13H2,(H2,21,22,25)
InChIKeyGKSNDEOSQDLXNY-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.00
Rot. Bonds4

About 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea

1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea (PubChem CID 1450077) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea
PubChem CID1450077
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea
SMILESO=C(Nc1cccn(Cc2ccccc2Cl)c1=O)NC1CCCCC1
InChIInChI=1S/C19H22ClN3O2/c20-16-10-5-4-7-14(16)13-23-12-6-11-17(18(23)24)22-19(25)21-15-8-2-1-3-9-15/h4-7,10-12,15H,1-3,8-9,13H2,(H2,21,22,25)
InChIKeyGKSNDEOSQDLXNY-UHFFFAOYSA-N
XLogP4.00
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea (CID 1450077) is 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea is O=C(Nc1cccn(Cc2ccccc2Cl)c1=O)NC1CCCCC1.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea?
The InChIKey is GKSNDEOSQDLXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-10-5-4-7-14(16)13-23-12-6-11-17(18(23)24)22-19(25)21-15-8-2-1-3-9-15/h4-7,10-12,15H,1-3,8-9,13H2,(H2,21,22,25).
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea?
1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea has a molecular weight of 359.86 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea is sourced from PubChem (CID 1450077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).