N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

C19H18N4O3S — CID 124860655

IUPACN-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C19H18N4O3S/c24-17-11-16(22-23(17)13-5-2-1-3-6-13)21-18(25)15-7-4-9-20-19(15)26-14-8-10-27-12-14/h1-7,9,11,14,22H,8,10,12H2,(H,21,25)/t14-/m1/s1
InChIKeyAZFJKYHMCYIQEH-CQSZACIVSA-N
MW382.44 g/mol
LogP2.70
Rot. Bonds5

About N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 124860655) has the molecular formula C19H18N4O3S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
PubChem CID124860655
Molecular FormulaC19H18N4O3S
Molecular Weight382.44 g/mol
Exact Mass382.11
IUPAC NameN-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C19H18N4O3S/c24-17-11-16(22-23(17)13-5-2-1-3-6-13)21-18(25)15-7-4-9-20-19(15)26-14-8-10-27-12-14/h1-7,9,11,14,22H,8,10,12H2,(H,21,25)/t14-/m1/s1
InChIKeyAZFJKYHMCYIQEH-CQSZACIVSA-N
XLogP2.70
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-phenylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736250
N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100735758
2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
CID 124680761
N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736359
N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815768
N-(3-hydroxypropyl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124864290
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815769
N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759309
N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815756
N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759918
N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815696
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-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (CID 124860655) is N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)c1cccnc1O[C@@H]1CCSC1.
What is the InChIKey of N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is AZFJKYHMCYIQEH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18N4O3S/c24-17-11-16(22-23(17)13-5-2-1-3-6-13)21-18(25)15-7-4-9-20-19(15)26-14-8-10-27-12-14/h1-7,9,11,14,22H,8,10,12H2,(H,21,25)/t14-/m1/s1.
What are the key properties of N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 124860655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).