6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide

C21H22N4O3 — CID 126788305

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OC4CCOC4)cc3)cn2)n1
InChIInChI=1S/C21H22N4O3/c1-14-11-15(2)25(24-14)20-8-3-16(12-22-20)21(26)23-17-4-6-18(7-5-17)28-19-9-10-27-13-19/h3-8,11-12,19H,9-10,13H2,1-2H3,(H,23,26)
InChIKeyQZZXCTFSFFEQBS-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.30
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide (PubChem CID 126788305) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide
PubChem CID126788305
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OC4CCOC4)cc3)cn2)n1
InChIInChI=1S/C21H22N4O3/c1-14-11-15(2)25(24-14)20-8-3-16(12-22-20)21(26)23-17-4-6-18(7-5-17)28-19-9-10-27-13-19/h3-8,11-12,19H,9-10,13H2,1-2H3,(H,23,26)
InChIKeyQZZXCTFSFFEQBS-UHFFFAOYSA-N
XLogP3.30
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110091031
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-(4-chlorophenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730314
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110090881
3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
[2-(4-benzamidophenyl)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644829
N-(2,4-dimethoxyphenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730426
4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 46402927
6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513330
5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide
CID 102557819
6-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 43069243

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide (CID 126788305) is 6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OC4CCOC4)cc3)cn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide?
The InChIKey is QZZXCTFSFFEQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-11-15(2)25(24-14)20-8-3-16(12-22-20)21(26)23-17-4-6-18(7-5-17)28-19-9-10-27-13-19/h3-8,11-12,19H,9-10,13H2,1-2H3,(H,23,26).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 126788305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).