4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide

C20H20N4O3 — CID 25333571

IUPAC4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H20N4O3/c25-20(23-16-6-9-19(21-13-16)24-11-2-10-22-24)15-4-7-17(8-5-15)27-14-18-3-1-12-26-18/h2,4-11,13,18H,1,3,12,14H2,(H,23,25)/t18-/m0/s1
InChIKeyXQLKVYHPDVZPDT-SFHVURJKSA-N
MW364.41 g/mol
LogP3.08
Rot. Bonds6

About 4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide

4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide (PubChem CID 25333571) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
PubChem CID25333571
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H20N4O3/c25-20(23-16-6-9-19(21-13-16)24-11-2-10-22-24)15-4-7-17(8-5-15)27-14-18-3-1-12-26-18/h2,4-11,13,18H,1,3,12,14H2,(H,23,25)/t18-/m0/s1
InChIKeyXQLKVYHPDVZPDT-SFHVURJKSA-N
XLogP3.08
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 86930592
N-[6-(dimethylamino)-3-pyridinyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 42932973
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 24818204
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 4957999
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide (CID 25333571) is 4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide is O=C(Nc1ccc(-n2cccn2)nc1)c1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of 4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The InChIKey is XQLKVYHPDVZPDT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(23-16-6-9-19(21-13-16)24-11-2-10-22-24)15-4-7-17(8-5-15)27-14-18-3-1-12-26-18/h2,4-11,13,18H,1,3,12,14H2,(H,23,25)/t18-/m0/s1.
What are the key properties of 4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide has a molecular weight of 364.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-oxolan-2-yl]methoxy]-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 25333571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).