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'}

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Related Compounds

N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100735758
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 124875567
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124727775
2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
CID 4025638
2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
CID 5133988
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-(2-phenylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736250
6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide
CID 90509622
N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736359
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 16841429
N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 37486429

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).