6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide

C22H28N4O3 — CID 109096862

IUPAC6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3OC(C)C)n2)CC1
InChIInChI=1S/C22H28N4O3/c1-4-25-12-14-26(15-13-25)22(28)19-10-7-9-18(23-19)21(27)24-17-8-5-6-11-20(17)29-16(2)3/h5-11,16H,4,12-15H2,1-3H3,(H,24,27)
InChIKeyHEUDQOFMNAHIDY-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.90
Rot. Bonds6

About 6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide

6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 109096862) 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-propan-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
PubChem CID109096862
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3OC(C)C)n2)CC1
InChIInChI=1S/C22H28N4O3/c1-4-25-12-14-26(15-13-25)22(28)19-10-7-9-18(23-19)21(27)24-17-8-5-6-11-20(17)29-16(2)3/h5-11,16H,4,12-15H2,1-3H3,(H,24,27)
InChIKeyHEUDQOFMNAHIDY-UHFFFAOYSA-N
XLogP2.90
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096865
N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096866
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
6-N-tert-butyl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099182
6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094133
N-(2-ethylphenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095186
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098907
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
N-(2-chlorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094857
3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 109053830
6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109096805

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide (CID 109096862) is 6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide is CCN1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3OC(C)C)n2)CC1.
What is the InChIKey of 6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is HEUDQOFMNAHIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-25-12-14-26(15-13-25)22(28)19-10-7-9-18(23-19)21(27)24-17-8-5-6-11-20(17)29-16(2)3/h5-11,16H,4,12-15H2,1-3H3,(H,24,27).
What are the key properties of 6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.90, 6 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-propan-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109096862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).