1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide

C20H25N3O3 — CID 42927644

IUPAC1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)cc1
InChIInChI=1S/C20H25N3O3/c1-5-12(2)15-6-8-16(9-7-15)22-17(24)11-23-14(4)10-13(3)18(19(21)25)20(23)26/h6-10,12H,5,11H2,1-4H3,(H2,21,25)(H,22,24)
InChIKeyUVDABOOJDQXKMZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.72
Rot. Bonds6

About 1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide

1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 42927644) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID42927644
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)cc1
InChIInChI=1S/C20H25N3O3/c1-5-12(2)15-6-8-16(9-7-15)22-17(24)11-23-14(4)10-13(3)18(19(21)25)20(23)26/h6-10,12H,5,11H2,1-4H3,(H2,21,25)(H,22,24)
InChIKeyUVDABOOJDQXKMZ-UHFFFAOYSA-N
XLogP2.72
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2746405
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354346
N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78766557
ethyl 4-(4-butan-2-ylanilino)-4-oxobutanoate
CID 60637740
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide
CID 53024277
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 53331259
N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794875

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide (CID 42927644) is 1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide is CCC(C)c1ccc(NC(=O)Cn2c(C)cc(C)c(C(N)=O)c2=O)cc1.
What is the InChIKey of 1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is UVDABOOJDQXKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-5-12(2)15-6-8-16(9-7-15)22-17(24)11-23-14(4)10-13(3)18(19(21)25)20(23)26/h6-10,12H,5,11H2,1-4H3,(H2,21,25)(H,22,24).
What are the key properties of 1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butan-2-ylanilino)-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 42927644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).