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

C19H16N2O4S — CID 100735758

IUPACN-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(Nc1cc2ccccc2oc1=O)c1cccnc1O[C@H]1CCSC1
InChIInChI=1S/C19H16N2O4S/c22-17(14-5-3-8-20-18(14)24-13-7-9-26-11-13)21-15-10-12-4-1-2-6-16(12)25-19(15)23/h1-6,8,10,13H,7,9,11H2,(H,21,22)/t13-/m0/s1
InChIKeyZEOQEZSRZGAPOV-ZDUSSCGKSA-N
MW368.41 g/mol
LogP3.32
Rot. Bonds4

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

N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 100735758) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
PubChem CID100735758
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(Nc1cc2ccccc2oc1=O)c1cccnc1O[C@H]1CCSC1
InChIInChI=1S/C19H16N2O4S/c22-17(14-5-3-8-20-18(14)24-13-7-9-26-11-13)21-15-10-12-4-1-2-6-16(12)25-19(15)23/h1-6,8,10,13H,7,9,11H2,(H,21,22)/t13-/m0/s1
InChIKeyZEOQEZSRZGAPOV-ZDUSSCGKSA-N
XLogP3.32
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.32
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)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124728039
N-(2-phenylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736250
N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736359
N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124860655
N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815768
2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
CID 124680761
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815769
N-(3-hydroxypropyl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124864290
N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759309
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124848421
N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759918
tert-butyl N-[3-[[2-(thiolan-3-yloxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815760

Frequently Asked Questions

What is the IUPAC name of N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide (CID 100735758) is N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide is O=C(Nc1cc2ccccc2oc1=O)c1cccnc1O[C@H]1CCSC1.
What is the InChIKey of N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is ZEOQEZSRZGAPOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-17(14-5-3-8-20-18(14)24-13-7-9-26-11-13)21-15-10-12-4-1-2-6-16(12)25-19(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)-thiolan-3-yl]oxypyridine-3-carboxamide?
N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.32, 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)-thiolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 100735758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).