6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide

C21H25N3O4 — CID 174989265

IUPAC6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide
SMILESCc1ccc(-c2c(C(N)=O)n(CC3CCOCC3)c(C)c(C(N)=O)c2=O)cc1
InChIInChI=1S/C21H25N3O4/c1-12-3-5-15(6-4-12)17-18(21(23)27)24(11-14-7-9-28-10-8-14)13(2)16(19(17)25)20(22)26/h3-6,14H,7-11H2,1-2H3,(H2,22,26)(H2,23,27)
InChIKeyDZQFOPLPSCEVIW-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.76
Rot. Bonds5

About 6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide

6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide (PubChem CID 174989265) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide
PubChem CID174989265
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide
SMILESCc1ccc(-c2c(C(N)=O)n(CC3CCOCC3)c(C)c(C(N)=O)c2=O)cc1
InChIInChI=1S/C21H25N3O4/c1-12-3-5-15(6-4-12)17-18(21(23)27)24(11-14-7-9-28-10-8-14)13(2)16(19(17)25)20(22)26/h3-6,14H,7-11H2,1-2H3,(H2,22,26)(H2,23,27)
InChIKeyDZQFOPLPSCEVIW-UHFFFAOYSA-N
XLogP1.76
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide with MolForge

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Related Compounds

ethyl 5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridazine-3-carboxylate
CID 139336864
1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3729418
2-[4,7-dimethyl-6-(4-methylphenyl)-2-(oxan-4-ylmethyl)-1,3-dihydroisoindol-5-yl]acetic acid
CID 134332481
5-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one
CID 155331232
1-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide
CID 3869048
5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid
CID 129135031
methyl 5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxylate
CID 139329629
2-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 90104813
2-[4-[2-amino-5-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 175919992
1-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 118365559
2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3436273
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide?
The IUPAC name of 6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide (CID 174989265) is 6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide.
What is the SMILES notation for 6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide?
The canonical SMILES for 6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide is Cc1ccc(-c2c(C(N)=O)n(CC3CCOCC3)c(C)c(C(N)=O)c2=O)cc1.
What is the InChIKey of 6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide?
The InChIKey is DZQFOPLPSCEVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-12-3-5-15(6-4-12)17-18(21(23)27)24(11-14-7-9-28-10-8-14)13(2)16(19(17)25)20(22)26/h3-6,14H,7-11H2,1-2H3,(H2,22,26)(H2,23,27).
What are the key properties of 6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide?
6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide is sourced from PubChem (CID 174989265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).