N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide

C19H16N2O5 — CID 124728039

IUPACN-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(Nc1cc2ccccc2oc1=O)c1cccnc1O[C@H]1CCOC1
InChIInChI=1S/C19H16N2O5/c22-17(14-5-3-8-20-18(14)25-13-7-9-24-11-13)21-15-10-12-4-1-2-6-16(12)26-19(15)23/h1-6,8,10,13H,7,9,11H2,(H,21,22)/t13-/m0/s1
InChIKeyWHMWEYLJKHIZOP-ZDUSSCGKSA-N
MW352.35 g/mol
LogP2.61
Rot. Bonds4

About N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide

N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 124728039) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
PubChem CID124728039
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(Nc1cc2ccccc2oc1=O)c1cccnc1O[C@H]1CCOC1
InChIInChI=1S/C19H16N2O5/c22-17(14-5-3-8-20-18(14)25-13-7-9-24-11-13)21-15-10-12-4-1-2-6-16(12)26-19(15)23/h1-6,8,10,13H,7,9,11H2,(H,21,22)/t13-/m0/s1
InChIKeyWHMWEYLJKHIZOP-ZDUSSCGKSA-N
XLogP2.61
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-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

Frequently Asked Questions

What is the IUPAC name of N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide (CID 124728039) is N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide is O=C(Nc1cc2ccccc2oc1=O)c1cccnc1O[C@H]1CCOC1.
What is the InChIKey of N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is WHMWEYLJKHIZOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-17(14-5-3-8-20-18(14)25-13-7-9-24-11-13)21-15-10-12-4-1-2-6-16(12)26-19(15)23/h1-6,8,10,13H,7,9,11H2,(H,21,22)/t13-/m0/s1.
What are the key properties of N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxochromen-3-yl)-2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 124728039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).