1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea

C15H16N4O3 — CID 972166

IUPAC1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
SMILESCCOc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N4O3/c1-2-22-13-7-5-12(6-8-13)17-15(21)19-18-14(20)11-4-3-9-16-10-11/h3-10H,2H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyQIOPPFYSMGSNPQ-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.95
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea

1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea (PubChem CID 972166) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
PubChem CID972166
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
SMILESCCOc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N4O3/c1-2-22-13-7-5-12(6-8-13)17-15(21)19-18-14(20)11-4-3-9-16-10-11/h3-10H,2H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyQIOPPFYSMGSNPQ-UHFFFAOYSA-N
XLogP1.95
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[5-(4-ethoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034364
[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 649387
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 839627
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 3888053
N-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925024
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
CID 108926648

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea (CID 972166) is 1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea is CCOc1ccc(NC(=O)NNC(=O)c2cccnc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea?
The InChIKey is QIOPPFYSMGSNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-2-22-13-7-5-12(6-8-13)17-15(21)19-18-14(20)11-4-3-9-16-10-11/h3-10H,2H2,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea?
1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea has a molecular weight of 300.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea is sourced from PubChem (CID 972166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).