4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide

C20H24N4O2 — CID 109209206

IUPAC4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N2CCN(C(C)=O)CC2)ccn1
InChIInChI=1S/C20H24N4O2/c1-3-16-6-4-5-7-18(16)22-20(26)19-14-17(8-9-21-19)24-12-10-23(11-13-24)15(2)25/h4-9,14H,3,10-13H2,1-2H3,(H,22,26)
InChIKeyXFGLHDQJOXIFKN-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.56
Rot. Bonds4

About 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide

4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide (PubChem CID 109209206) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
PubChem CID109209206
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N2CCN(C(C)=O)CC2)ccn1
InChIInChI=1S/C20H24N4O2/c1-3-16-6-4-5-7-18(16)22-20(26)19-14-17(8-9-21-19)24-12-10-23(11-13-24)15(2)25/h4-9,14H,3,10-13H2,1-2H3,(H,22,26)
InChIKeyXFGLHDQJOXIFKN-UHFFFAOYSA-N
XLogP2.56
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109218647
6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109367760
4-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109209263
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide
CID 57327120
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209202
4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201306
ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
CID 109215966
N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215237
4-(4-acetylpiperazin-1-yl)-N-cyclopropylpyridine-2-carboxamide
CID 109201701
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide (CID 109209206) is 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide is CCc1ccccc1NC(=O)c1cc(N2CCN(C(C)=O)CC2)ccn1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide?
The InChIKey is XFGLHDQJOXIFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-16-6-4-5-7-18(16)22-20(26)19-14-17(8-9-21-19)24-12-10-23(11-13-24)15(2)25/h4-9,14H,3,10-13H2,1-2H3,(H,22,26).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide?
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109209206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).