1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea

C20H23N3O2 — CID 95265903

IUPAC1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea
SMILESO=C(NC[C@H]1CC=CCC1)Nc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C20H23N3O2/c24-19-8-4-5-13-23(19)15-17-9-11-18(12-10-17)22-20(25)21-14-16-6-2-1-3-7-16/h1-2,4-5,8-13,16H,3,6-7,14-15H2,(H2,21,22,25)/t16-/m0/s1
InChIKeyHICLNQHBPRSCHN-INIZCTEOSA-N
MW337.42 g/mol
LogP3.37
Rot. Bonds5

About 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea (PubChem CID 95265903) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea
PubChem CID95265903
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea
SMILESO=C(NC[C@H]1CC=CCC1)Nc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C20H23N3O2/c24-19-8-4-5-13-23(19)15-17-9-11-18(12-10-17)22-20(25)21-14-16-6-2-1-3-7-16/h1-2,4-5,8-13,16H,3,6-7,14-15H2,(H2,21,22,25)/t16-/m0/s1
InChIKeyHICLNQHBPRSCHN-INIZCTEOSA-N
XLogP3.37
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea?
The IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea (CID 95265903) is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea.
What is the SMILES notation for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea?
The canonical SMILES for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea is O=C(NC[C@H]1CC=CCC1)Nc1ccc(Cn2ccccc2=O)cc1.
What is the InChIKey of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea?
The InChIKey is HICLNQHBPRSCHN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19-8-4-5-13-23(19)15-17-9-11-18(12-10-17)22-20(25)21-14-16-6-2-1-3-7-16/h1-2,4-5,8-13,16H,3,6-7,14-15H2,(H2,21,22,25)/t16-/m0/s1.
What are the key properties of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea?
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea has a molecular weight of 337.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]urea is sourced from PubChem (CID 95265903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).