5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide

C21H24N4O6 — CID 176544199

IUPAC5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCCn1c(O)c(C(N)=O)c(C)c(C=C=Cc2c(C)c(C(N)=O)c(O)n(CC)c2=O)c1=O
InChIInChI=1S/C21H24N4O6/c1-5-24-18(28)12(10(3)14(16(22)26)20(24)30)8-7-9-13-11(4)15(17(23)27)21(31)25(6-2)19(13)29/h8-9,30-31H,5-6H2,1-4H3,(H2,22,26)(H2,23,27)
InChIKeyBOTJSKAZIFLLMA-UHFFFAOYSA-N
MW428.45 g/mol
LogP0.60
Rot. Bonds6

About 5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide

5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (PubChem CID 176544199) has the molecular formula C21H24N4O6 and a molecular weight of 428.45 g/mol. Its IUPAC name is 5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
PubChem CID176544199
Molecular FormulaC21H24N4O6
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCCn1c(O)c(C(N)=O)c(C)c(C=C=Cc2c(C)c(C(N)=O)c(O)n(CC)c2=O)c1=O
InChIInChI=1S/C21H24N4O6/c1-5-24-18(28)12(10(3)14(16(22)26)20(24)30)8-7-9-13-11(4)15(17(23)27)21(31)25(6-2)19(13)29/h8-9,30-31H,5-6H2,1-4H3,(H2,22,26)(H2,23,27)
InChIKeyBOTJSKAZIFLLMA-UHFFFAOYSA-N
XLogP0.60
TPSA170.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

5-diazenyl-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 137182788
1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139891635
1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 50888652
CID 170839014
CID 170839014
1-ethyl-3,4-dimethylpyrrole-2,5-diol
CID 91502885
1,3-diethyl-6-hydroxy-5-(2-pyran-4-ylideneethenyl)-2-sulfanylidenepyrimidin-4-one
CID 91184045
ethyl 5-cyano-3-[3-(dimethylamino)propa-1,2-dienyl]-2-hydroxy-1-methyl-6-oxopyridine-4-carboxylate
CID 90844376
1-ethyl-6-hydroxy-4-methyl-2-oxo-5-prop-2-enylpyridine-3-carbonitrile
CID 50888715
5-(4-ethoxybenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115099
2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid
CID 1403774
2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carboxamide
CID 15131400
5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115109

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (CID 176544199) is 5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is CCn1c(O)c(C(N)=O)c(C)c(C=C=Cc2c(C)c(C(N)=O)c(O)n(CC)c2=O)c1=O.
What is the InChIKey of 5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is BOTJSKAZIFLLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6/c1-5-24-18(28)12(10(3)14(16(22)26)20(24)30)8-7-9-13-11(4)15(17(23)27)21(31)25(6-2)19(13)29/h8-9,30-31H,5-6H2,1-4H3,(H2,22,26)(H2,23,27).
What are the key properties of 5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)propa-1,2-dienyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 176544199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).