2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide

C15H15N3O3 — CID 124616240

IUPAC2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
SMILESO=C(Nc1cccnc1)c1ccnc(O[C@H]2CCOC2)c1
InChIInChI=1S/C15H15N3O3/c19-15(18-12-2-1-5-16-9-12)11-3-6-17-14(8-11)21-13-4-7-20-10-13/h1-3,5-6,8-9,13H,4,7,10H2,(H,18,19)/t13-/m0/s1
InChIKeyYQDOFXMTPODEMC-ZDUSSCGKSA-N
MW285.30 g/mol
LogP1.90
Rot. Bonds4

About 2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide

2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide (PubChem CID 124616240) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
PubChem CID124616240
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
SMILESO=C(Nc1cccnc1)c1ccnc(O[C@H]2CCOC2)c1
InChIInChI=1S/C15H15N3O3/c19-15(18-12-2-1-5-16-9-12)11-3-6-17-14(8-11)21-13-4-7-20-10-13/h1-3,5-6,8-9,13H,4,7,10H2,(H,18,19)/t13-/m0/s1
InChIKeyYQDOFXMTPODEMC-ZDUSSCGKSA-N
XLogP1.90
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245
N-(2,6-difluorophenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815300
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617694
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
2-methoxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 84580431
N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 166214316
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 127842915

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide (CID 124616240) is 2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide is O=C(Nc1cccnc1)c1ccnc(O[C@H]2CCOC2)c1.
What is the InChIKey of 2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide?
The InChIKey is YQDOFXMTPODEMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-15(18-12-2-1-5-16-9-12)11-3-6-17-14(8-11)21-13-4-7-20-10-13/h1-3,5-6,8-9,13H,4,7,10H2,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide?
2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 124616240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).