4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide

C20H19N3O4 — CID 170505604

IUPAC4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)Nc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-12-10-16(15-8-5-9-26-15)27-20(25)17(12)19(24)22-14-11-21-23-18(14)13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyNVQDICDJEUSWHW-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.44
Rot. Bonds4

About 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide

4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide (PubChem CID 170505604) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide
PubChem CID170505604
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)Nc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-12-10-16(15-8-5-9-26-15)27-20(25)17(12)19(24)22-14-11-21-23-18(14)13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyNVQDICDJEUSWHW-UHFFFAOYSA-N
XLogP3.44
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507768
4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170502476
N-(6-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507077
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(5-phenyl-1H-pyrazol-4-yl)isoindole-5-carboxamide
CID 71912689
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-4-yl)-4-methyl-2-oxopyran-3-carboxamide
CID 171388473
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-6-yl)-4-methyl-2-oxopyran-3-carboxamide
CID 170508605
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170508266
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
CID 166191116
4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710954
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170505635
6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 171389472
3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
CID 166302069

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide (CID 170505604) is 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide is Cc1cc(C2CCCO2)oc(=O)c1C(=O)Nc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide?
The InChIKey is NVQDICDJEUSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-10-16(15-8-5-9-26-15)27-20(25)17(12)19(24)22-14-11-21-23-18(14)13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide?
4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide is sourced from PubChem (CID 170505604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).