3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide

C19H21N3O3 — CID 109102422

IUPAC3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-4-12(2)21-18(24)15-8-16(11-20-10-15)19(25)22-17-7-5-6-14(9-17)13(3)23/h5-12H,4H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyALVMNOLBNSTUHA-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.06
Rot. Bonds6

About 3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide

3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 109102422) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
PubChem CID109102422
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-4-12(2)21-18(24)15-8-16(11-20-10-15)19(25)22-17-7-5-6-14(9-17)13(3)23/h5-12H,4H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyALVMNOLBNSTUHA-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

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Related Compounds

1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
5-N-butan-2-yl-3-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102383
4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
CID 109080259
1-N-(3-acetamidophenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044156
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106794
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101470
N-(3-acetylphenyl)-2-(butan-2-ylamino)pyrimidine-5-carboxamide
CID 109249149
5-N-butan-2-yl-3-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109102415
N-(3-acetylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63859581
methyl 3-[[4-(butan-2-ylcarbamoyl)benzoyl]amino]benzoate
CID 109044159

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide (CID 109102422) is 3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide is CCC(C)NC(=O)c1cncc(C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of 3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is ALVMNOLBNSTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-12(2)21-18(24)15-8-16(11-20-10-15)19(25)22-17-7-5-6-14(9-17)13(3)23/h5-12H,4H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide?
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-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 3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).