N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

C20H24N4O2 — CID 109154758

IUPACN-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cn2)CC1
InChIInChI=1S/C20H24N4O2/c1-3-23-9-11-24(12-10-23)19-8-7-17(14-21-19)20(26)22-18-6-4-5-16(13-18)15(2)25/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,26)
InChIKeyKLKQRQDKCGZFOT-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.68
Rot. Bonds5

About N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109154758) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109154758
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cn2)CC1
InChIInChI=1S/C20H24N4O2/c1-3-23-9-11-24(12-10-23)19-8-7-17(14-21-19)20(26)22-18-6-4-5-16(13-18)15(2)25/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,26)
InChIKeyKLKQRQDKCGZFOT-UHFFFAOYSA-N
XLogP2.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
N-(2-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154747
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
methyl 3-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]amino]benzoate
CID 109160015
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
1-[3-[[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112914246
N-[3-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 155955616
N-(3-cyanophenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159609
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109159992

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (CID 109154758) is N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is CCN1CCN(c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cn2)CC1.
What is the InChIKey of N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is KLKQRQDKCGZFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-23-9-11-24(12-10-23)19-8-7-17(14-21-19)20(26)22-18-6-4-5-16(13-18)15(2)25/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109154758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).