6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide

C21H19N3O2 — CID 109151538

IUPAC6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)nc1
InChIInChI=1S/C21H19N3O2/c1-2-14-22-21(25)16-12-13-20(23-15-16)24-18-10-6-7-11-19(18)26-17-8-4-3-5-9-17/h2-13,15H,1,14H2,(H,22,25)(H,23,24)
InChIKeyOSSZURSQGKVBCZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.53
Rot. Bonds7

About 6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide

6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 109151538) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID109151538
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)nc1
InChIInChI=1S/C21H19N3O2/c1-2-14-22-21(25)16-12-13-20(23-15-16)24-18-10-6-7-11-19(18)26-17-8-4-3-5-9-17/h2-13,15H,1,14H2,(H,22,25)(H,23,24)
InChIKeyOSSZURSQGKVBCZ-UHFFFAOYSA-N
XLogP4.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide 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

2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361525
2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296281
4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021986
2-(2-phenoxyanilino)-N-prop-2-enylacetamide
CID 108992999
6-phenyl-N-prop-2-enylpyridine-3-carboxamide
CID 110683620
6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109160992
N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180597
6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151913
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158959
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153373
2-(2-phenoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171882

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide (CID 109151538) is 6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)nc1.
What is the InChIKey of 6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is OSSZURSQGKVBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-14-22-21(25)16-12-13-20(23-15-16)24-18-10-6-7-11-19(18)26-17-8-4-3-5-9-17/h2-13,15H,1,14H2,(H,22,25)(H,23,24).
What are the key properties of 6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide?
6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 109151538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).