4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide

C21H24N4O3 — CID 170502133

IUPAC4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)Nc2ccnn2Cc2ccncc2)c(=O)o1
InChIInChI=1S/C21H24N4O3/c1-4-5-14(2)17-12-15(3)19(21(27)28-17)20(26)24-18-8-11-23-25(18)13-16-6-9-22-10-7-16/h6-12,14H,4-5,13H2,1-3H3,(H,24,26)
InChIKeyPESUAEBZHLTWNG-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.74
Rot. Bonds7

About 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide

4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide (PubChem CID 170502133) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide
PubChem CID170502133
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)Nc2ccnn2Cc2ccncc2)c(=O)o1
InChIInChI=1S/C21H24N4O3/c1-4-5-14(2)17-12-15(3)19(21(27)28-17)20(26)24-18-8-11-23-25(18)13-16-6-9-22-10-7-16/h6-12,14H,4-5,13H2,1-3H3,(H,24,26)
InChIKeyPESUAEBZHLTWNG-UHFFFAOYSA-N
XLogP3.74
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide with MolForge

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Related Compounds

4-methyl-2-oxo-6-pentan-2-yl-N-(4-piperazin-1-ylphenyl)pyran-3-carboxamide
CID 170513264
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892613
N-(5-carbamoyl-2-fluorophenyl)-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170507977
4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170505762
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 53045619
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170508082
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
CID 170503893
N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170504979
4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 55491479
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
5-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 55772310
methyl 2-[4-(4-methyl-2-oxo-6-pentan-2-ylpyran-3-carbonyl)piperazin-1-yl]acetate
CID 170505504

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide (CID 170502133) is 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)Nc2ccnn2Cc2ccncc2)c(=O)o1.
What is the InChIKey of 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide?
The InChIKey is PESUAEBZHLTWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-5-14(2)17-12-15(3)19(21(27)28-17)20(26)24-18-8-11-23-25(18)13-16-6-9-22-10-7-16/h6-12,14H,4-5,13H2,1-3H3,(H,24,26).
What are the key properties of 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide?
4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-pentan-2-yl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyran-3-carboxamide is sourced from PubChem (CID 170502133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).