4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide

C19H21N3O3 — CID 109089304

IUPAC4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C19H21N3O3/c1-12(23)13-6-5-7-15(10-13)21-17(24)14-8-9-20-16(11-14)18(25)22-19(2,3)4/h5-11H,1-4H3,(H,21,24)(H,22,25)
InChIKeyMUPGMVCGCLZXDA-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.06
Rot. Bonds4

About 4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide

4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide (PubChem CID 109089304) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
PubChem CID109089304
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C19H21N3O3/c1-12(23)13-6-5-7-15(10-13)21-17(24)14-8-9-20-16(11-14)18(25)22-19(2,3)4/h5-11H,1-4H3,(H,21,24)(H,22,25)
InChIKeyMUPGMVCGCLZXDA-UHFFFAOYSA-N
XLogP3.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
2-N-(3-acetylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093072
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
CID 109080259
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
2-N-(3-acetylphenyl)-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092202
2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080814
2-N-tert-butyl-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089263
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090588

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide (CID 109089304) is 4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(C(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of 4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide?
The InChIKey is MUPGMVCGCLZXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(23)13-6-5-7-15(10-13)21-17(24)14-8-9-20-16(11-14)18(25)22-19(2,3)4/h5-11H,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide?
4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.06, 4 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-tert-butylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).