1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide

C15H24N2O3 — CID 20502394

IUPAC1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide
SMILESCCCCC(CC)CN1C(=O)CC(C)=C(C(N)=O)C1=O
InChIInChI=1S/C15H24N2O3/c1-4-6-7-11(5-2)9-17-12(18)8-10(3)13(14(16)19)15(17)20/h11H,4-9H2,1-3H3,(H2,16,19)
InChIKeyYXUSAKDICZHYNR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.76
Rot. Bonds7

About 1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide

1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide (PubChem CID 20502394) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide
PubChem CID20502394
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide
SMILESCCCCC(CC)CN1C(=O)CC(C)=C(C(N)=O)C1=O
InChIInChI=1S/C15H24N2O3/c1-4-6-7-11(5-2)9-17-12(18)8-10(3)13(14(16)19)15(17)20/h11H,4-9H2,1-3H3,(H2,16,19)
InChIKeyYXUSAKDICZHYNR-UHFFFAOYSA-N
XLogP1.76
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylhexyl)-3-methyl-1,3-diazinane-2,4,6-trione
CID 21307382
3-amino-1-(2-ethylhexyl)azetidin-2-one
CID 107819375
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
2-(2-ethylhexyl)-6,7-dimethylbenzo[de]isoquinoline-1,3-dione
CID 157287985
5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione
CID 102293952
7,22-bis(2-ethylhexyl)-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 58212311
2,3,9,10-tetrabromo-6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 70653710
(1R,7S)-4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 25141463
(1S,2R,6R,7R)-4-[(2S)-2-ethylhexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99937750
5-(2-ethylhexyl)-6-methylidenethieno[3,4-c]pyrrol-4-one
CID 90360336
1-(2-ethylhexyl)imidazole-2-carboxamide
CID 70128665
[1-(2-ethylhexyl)-5-oxopyrrolidin-3-yl] pentanoate
CID 174696652

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide?
The IUPAC name of 1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide (CID 20502394) is 1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide.
What is the SMILES notation for 1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide?
The canonical SMILES for 1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide is CCCCC(CC)CN1C(=O)CC(C)=C(C(N)=O)C1=O.
What is the InChIKey of 1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide?
The InChIKey is YXUSAKDICZHYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-6-7-11(5-2)9-17-12(18)8-10(3)13(14(16)19)15(17)20/h11H,4-9H2,1-3H3,(H2,16,19).
What are the key properties of 1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide?
1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-4-methyl-2,6-dioxo-3H-pyridine-5-carboxamide is sourced from PubChem (CID 20502394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).