1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

C14H19N3O2 — CID 75523326

IUPAC1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESCc1cc(C)nc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1
InChIInChI=1S/C14H19N3O2/c1-9-5-10(2)15-13(6-9)17-14(19)16-12-4-3-11(7-12)8-18/h3-6,11-12,18H,7-8H2,1-2H3,(H2,15,16,17,19)/t11-,12+/m0/s1
InChIKeyKPXUYGCNYSHCTF-NWDGAFQWSA-N
MW261.32 g/mol
LogP1.76
Rot. Bonds3

About 1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (PubChem CID 75523326) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
PubChem CID75523326
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESCc1cc(C)nc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1
InChIInChI=1S/C14H19N3O2/c1-9-5-10(2)15-13(6-9)17-14(19)16-12-4-3-11(7-12)8-18/h3-6,11-12,18H,7-8H2,1-2H3,(H2,15,16,17,19)/t11-,12+/m0/s1
InChIKeyKPXUYGCNYSHCTF-NWDGAFQWSA-N
XLogP1.76
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (CID 75523326) is 1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is Cc1cc(C)nc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The InChIKey is KPXUYGCNYSHCTF-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-5-10(2)15-13(6-9)17-14(19)16-12-4-3-11(7-12)8-18/h3-6,11-12,18H,7-8H2,1-2H3,(H2,15,16,17,19)/t11-,12+/m0/s1.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea has a molecular weight of 261.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is sourced from PubChem (CID 75523326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).