1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea

C14H13ClN4O3 — CID 2955023

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C14H13ClN4O3/c1-22-12-6-5-9(15)8-11(12)17-14(21)19-18-13(20)10-4-2-3-7-16-10/h2-8H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyUTGVRLZAWNHJPV-UHFFFAOYSA-N
MW320.74 g/mol
LogP2.21
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea

1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea (PubChem CID 2955023) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea
PubChem CID2955023
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C14H13ClN4O3/c1-22-12-6-5-9(15)8-11(12)17-14(21)19-18-13(20)10-4-2-3-7-16-10/h2-8H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyUTGVRLZAWNHJPV-UHFFFAOYSA-N
XLogP2.21
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 862098
N-(2-Methoxy-phenyl)-3-[(pyridine-2-carbonyl)-hydrazono]-butyramide
CID 9592392
N-(5-chloro-2-methoxyphenyl)-2-(pyridin-3-ylcarbonyl)hydrazinecarbothioamide
CID 972336
N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 2442621
Pyridine-2-carboxylic acid N'-[2-(4-chloro-phenoxy)-acetyl]-hydrazide
CID 793931
1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 4384086
1-(2-Methoxyphenyl)-3-(pyridine-4-carbonylamino)urea
CID 235079
N-[2,2,2-trichloro-1-(2-methoxyanilino)ethyl]-2-pyridinecarboxamide
CID 3093500
3-chloro-N'-(pyridine-2-carbonyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide;hydrochloride
CID 45261545
5-chloro-N-(2-ethoxyphenyl)-N-methylpyridine-2-carboxamide
CID 75389273
N'-(2-methoxyphenyl)picolinohydrazide
CID 165390257
N-(5-chloro-2-methoxyphenyl)-2-pyridin-1-ium-1-ylacetamide
CID 3165628

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea (CID 2955023) is 1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea is COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccccn1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea?
The InChIKey is UTGVRLZAWNHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-22-12-6-5-9(15)8-11(12)17-14(21)19-18-13(20)10-4-2-3-7-16-10/h2-8H,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea?
1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea has a molecular weight of 320.74 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(pyridine-2-carbonylamino)urea is sourced from PubChem (CID 2955023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).