2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide

C17H14N2O3 — CID 2970214

IUPAC2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2oc1=O)c1ccncc1
InChIInChI=1S/C17H14N2O3/c1-11(12-6-8-18-9-7-12)19-16(20)14-10-13-4-2-3-5-15(13)22-17(14)21/h2-11H,1H3,(H,19,20)
InChIKeyAOCKHEHDODOIQT-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.68
Rot. Bonds3

About 2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide

2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide (PubChem CID 2970214) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
PubChem CID2970214
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2oc1=O)c1ccncc1
InChIInChI=1S/C17H14N2O3/c1-11(12-6-8-18-9-7-12)19-16(20)14-10-13-4-2-3-5-15(13)22-17(14)21/h2-11H,1H3,(H,19,20)
InChIKeyAOCKHEHDODOIQT-UHFFFAOYSA-N
XLogP2.68
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-oxo-N-(1-pyridin-4-ylethyl)chromene-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-oxo-N-(1-pyridin-3-ylethyl)chromene-3-carboxamide
CID 18163014
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
N-[1-(4-ethylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 17326877
N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 51247110
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 18143517
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide
CID 42893558
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 39964775
2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
CID 171388211
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
N-(2-methyl-1-thiophen-2-ylpropyl)-2-oxochromene-3-carboxamide
CID 46692009
2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
CID 40635761
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide (CID 2970214) is 2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide is CC(NC(=O)c1cc2ccccc2oc1=O)c1ccncc1.
What is the InChIKey of 2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide?
The InChIKey is AOCKHEHDODOIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11(12-6-8-18-9-7-12)19-16(20)14-10-13-4-2-3-5-15(13)22-17(14)21/h2-11H,1H3,(H,19,20).
What are the key properties of 2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide?
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide is sourced from PubChem (CID 2970214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).