4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide

C19H21N3O3 — CID 109080259

IUPAC4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccn1
InChIInChI=1S/C19H21N3O3/c1-4-12(2)21-19(25)17-11-15(8-9-20-17)18(24)22-16-7-5-6-14(10-16)13(3)23/h5-12H,4H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyQVEFCMLYGVXUEG-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.06
Rot. Bonds6

About 4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide

4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide (PubChem CID 109080259) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
PubChem CID109080259
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccn1
InChIInChI=1S/C19H21N3O3/c1-4-12(2)21-19(25)17-11-15(8-9-20-17)18(24)22-16-7-5-6-14(10-16)13(3)23/h5-12H,4H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyQVEFCMLYGVXUEG-UHFFFAOYSA-N
XLogP3.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080208
1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109080310
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089304
2-N-(3-acetylphenyl)-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092202
2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080207
4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090588
2-N-(3-acetylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093072

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide (CID 109080259) is 4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccn1.
What is the InChIKey of 4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide?
The InChIKey is QVEFCMLYGVXUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-12(2)21-19(25)17-11-15(8-9-20-17)18(24)22-16-7-5-6-14(10-16)13(3)23/h5-12H,4H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide?
4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).