6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

C22H28N4O3 — CID 109096805

IUPAC6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C22H28N4O3/c1-3-25-13-15-26(16-14-25)22(28)20-6-4-5-19(24-20)21(27)23-12-11-17-7-9-18(29-2)10-8-17/h4-10H,3,11-16H2,1-2H3,(H,23,27)
InChIKeyPFHSVNZBKQEPCK-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.84
Rot. Bonds7

About 6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109096805) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109096805
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C22H28N4O3/c1-3-25-13-15-26(16-14-25)22(28)20-6-4-5-19(24-20)21(27)23-12-11-17-7-9-18(29-2)10-8-17/h4-10H,3,11-16H2,1-2H3,(H,23,27)
InChIKeyPFHSVNZBKQEPCK-UHFFFAOYSA-N
XLogP1.84
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 109053657
N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096865
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
N-[2-(4-fluorophenyl)ethyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094790
N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62239248
N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096866
6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109367187
(4-ethylpiperazin-1-yl)-[6-[2-(3-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
CID 109116645
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 66505238
5-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109278597
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109096805) is 6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is CCN1CCN(C(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)n2)CC1.
What is the InChIKey of 6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is PFHSVNZBKQEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-25-13-15-26(16-14-25)22(28)20-6-4-5-19(24-20)21(27)23-12-11-17-7-9-18(29-2)10-8-17/h4-10H,3,11-16H2,1-2H3,(H,23,27).
What are the key properties of 6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109096805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).