5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide

C23H28N2O5 — CID 160649778

IUPAC5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCC2CC2)cn(Cc2cccc(OCCO)c2)c1=O
InChIInChI=1S/C23H28N2O5/c1-24-22(28)20-13-18(21(27)7-3-4-16-8-9-16)15-25(23(20)29)14-17-5-2-6-19(12-17)30-11-10-26/h2,5-6,12-13,15-16,26H,3-4,7-11,14H2,1H3,(H,24,28)
InChIKeyRKGOYNMDSVKKLM-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.39
Rot. Bonds11

About 5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide

5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 160649778) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID160649778
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCC2CC2)cn(Cc2cccc(OCCO)c2)c1=O
InChIInChI=1S/C23H28N2O5/c1-24-22(28)20-13-18(21(27)7-3-4-16-8-9-16)15-25(23(20)29)14-17-5-2-6-19(12-17)30-11-10-26/h2,5-6,12-13,15-16,26H,3-4,7-11,14H2,1H3,(H,24,28)
InChIKeyRKGOYNMDSVKKLM-UHFFFAOYSA-N
XLogP2.39
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676861
1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 158142498
1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide
CID 157088108
5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 148828457
5-(2-cyclobutylacetyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 161360458
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841
5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 158191284
5-(2-cyclopropylacetyl)-1-[[3-(1-hydroxyethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 158191283
1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
CID 158863344
5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538193

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 160649778) is 5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CCCC2CC2)cn(Cc2cccc(OCCO)c2)c1=O.
What is the InChIKey of 5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is RKGOYNMDSVKKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-24-22(28)20-13-18(21(27)7-3-4-16-8-9-16)15-25(23(20)29)14-17-5-2-6-19(12-17)30-11-10-26/h2,5-6,12-13,15-16,26H,3-4,7-11,14H2,1H3,(H,24,28).
What are the key properties of 5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.39, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 160649778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).