4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide

C17H20N2O4 — CID 170504710

IUPAC4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)Nc1cc(=O)cc[nH]1
InChIInChI=1S/C17H20N2O4/c1-10(2)4-5-13-8-11(3)15(17(22)23-13)16(21)19-14-9-12(20)6-7-18-14/h6-10H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyGGXZGTKPNFBOBJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.48
Rot. Bonds5

About 4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide

4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide (PubChem CID 170504710) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide
PubChem CID170504710
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)Nc1cc(=O)cc[nH]1
InChIInChI=1S/C17H20N2O4/c1-10(2)4-5-13-8-11(3)15(17(22)23-13)16(21)19-14-9-12(20)6-7-18-14/h6-10H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyGGXZGTKPNFBOBJ-UHFFFAOYSA-N
XLogP2.48
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 169413200
N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 170506893
4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide
CID 170512843
N-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 170513092
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 169411291
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide
CID 171387221
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 170512674
4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide
CID 169421708
methyl 1-[4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carbonyl]azetidine-3-carboxylate
CID 171387225
3-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-4-methyl-6-(3-methylbutyl)pyran-2-one
CID 170502797
3-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-4-methyl-6-(3-methylbutyl)pyran-2-one
CID 170512638
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 170512389

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide (CID 170504710) is 4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide is Cc1cc(CCC(C)C)oc(=O)c1C(=O)Nc1cc(=O)cc[nH]1.
What is the InChIKey of 4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide?
The InChIKey is GGXZGTKPNFBOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10(2)4-5-13-8-11(3)15(17(22)23-13)16(21)19-14-9-12(20)6-7-18-14/h6-10H,4-5H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide?
4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide is sourced from PubChem (CID 170504710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).