4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide

C21H24N4O3 — CID 109084898

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C(=O)N3CCN(C(C)=O)CC3)ccn2)cc1
InChIInChI=1S/C21H24N4O3/c1-3-16-4-6-18(7-5-16)23-20(27)19-14-17(8-9-22-19)21(28)25-12-10-24(11-13-25)15(2)26/h4-9,14H,3,10-13H2,1-2H3,(H,23,27)
InChIKeyCPYYPEXPSQEOFG-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.20
Rot. Bonds4

About 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide

4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide (PubChem CID 109084898) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
PubChem CID109084898
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C(=O)N3CCN(C(C)=O)CC3)ccn2)cc1
InChIInChI=1S/C21H24N4O3/c1-3-16-4-6-18(7-5-16)23-20(27)19-14-17(8-9-22-19)21(28)25-12-10-24(11-13-25)15(2)26/h4-9,14H,3,10-13H2,1-2H3,(H,23,27)
InChIKeyCPYYPEXPSQEOFG-UHFFFAOYSA-N
XLogP2.20
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-acetylphenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092310
4-(4-ethylpiperazine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109084455
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109097046
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109091643
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084493
methyl 4-[[4-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109090698
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084860
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109084885
2-N-(3,4-difluorophenyl)-4-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092288
4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077915

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide (CID 109084898) is 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide is CCc1ccc(NC(=O)c2cc(C(=O)N3CCN(C(C)=O)CC3)ccn2)cc1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide?
The InChIKey is CPYYPEXPSQEOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-16-4-6-18(7-5-16)23-20(27)19-14-17(8-9-22-19)21(28)25-12-10-24(11-13-25)15(2)26/h4-9,14H,3,10-13H2,1-2H3,(H,23,27).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide?
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).