1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea

C13H13ClN4O2 — CID 144783778

IUPAC1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea
SMILESNNC(=O)Nc1ccccc1COc1cccnc1Cl
InChIInChI=1S/C13H13ClN4O2/c14-12-11(6-3-7-16-12)20-8-9-4-1-2-5-10(9)17-13(19)18-15/h1-7H,8,15H2,(H2,17,18,19)
InChIKeyWZHMPVDPPJCODB-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.31
Rot. Bonds4

About 1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea

1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea (PubChem CID 144783778) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea.

Molecular Properties

Compound Name1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea
PubChem CID144783778
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea
SMILESNNC(=O)Nc1ccccc1COc1cccnc1Cl
InChIInChI=1S/C13H13ClN4O2/c14-12-11(6-3-7-16-12)20-8-9-4-1-2-5-10(9)17-13(19)18-15/h1-7H,8,15H2,(H2,17,18,19)
InChIKeyWZHMPVDPPJCODB-UHFFFAOYSA-N
XLogP2.31
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]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-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea?
The IUPAC name of 1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea (CID 144783778) is 1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea.
What is the SMILES notation for 1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea?
The canonical SMILES for 1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea is NNC(=O)Nc1ccccc1COc1cccnc1Cl.
What is the InChIKey of 1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea?
The InChIKey is WZHMPVDPPJCODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-12-11(6-3-7-16-12)20-8-9-4-1-2-5-10(9)17-13(19)18-15/h1-7H,8,15H2,(H2,17,18,19).
What are the key properties of 1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea?
1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea has a molecular weight of 292.73 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]urea is sourced from PubChem (CID 144783778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).