N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

C20H27N3O4 — CID 170505934

IUPACN-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCCC(C)n1nc(C)cc1NC(=O)c1c(C)cc(C2CCOCC2)oc1=O
InChIInChI=1S/C20H27N3O4/c1-5-14(4)23-17(11-13(3)22-23)21-19(24)18-12(2)10-16(27-20(18)25)15-6-8-26-9-7-15/h10-11,14-15H,5-9H2,1-4H3,(H,21,24)
InChIKeyNMJCLCWOECKBQH-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.57
Rot. Bonds5

About N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (PubChem CID 170505934) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
PubChem CID170505934
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCCC(C)n1nc(C)cc1NC(=O)c1c(C)cc(C2CCOCC2)oc1=O
InChIInChI=1S/C20H27N3O4/c1-5-14(4)23-17(11-13(3)22-23)21-19(24)18-12(2)10-16(27-20(18)25)15-6-8-26-9-7-15/h10-11,14-15H,5-9H2,1-4H3,(H,21,24)
InChIKeyNMJCLCWOECKBQH-UHFFFAOYSA-N
XLogP3.57
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170507041
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide
CID 170509325
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide
CID 170513085
4-methyl-6-(oxan-4-yl)-2-oxo-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyran-3-carboxamide
CID 170513109
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide
CID 170508114
4-methyl-2-oxo-6-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyran-3-carboxamide
CID 170510419
4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
CID 170511443
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505961
4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170510231
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170504638
6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 171389472

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The IUPAC name of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (CID 170505934) is N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The canonical SMILES for N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is CCC(C)n1nc(C)cc1NC(=O)c1c(C)cc(C2CCOCC2)oc1=O.
What is the InChIKey of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The InChIKey is NMJCLCWOECKBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-5-14(4)23-17(11-13(3)22-23)21-19(24)18-12(2)10-16(27-20(18)25)15-6-8-26-9-7-15/h10-11,14-15H,5-9H2,1-4H3,(H,21,24).
What are the key properties of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170505934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).