5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

C21H28N4O2 — CID 109230669

IUPAC5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3ccc(OC(C)C)cc3)c2)CC1
InChIInChI=1S/C21H28N4O2/c1-4-24-9-11-25(12-10-24)19-13-17(14-22-15-19)21(26)23-18-5-7-20(8-6-18)27-16(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,23,26)
InChIKeyHOGVBUYRQYPAOJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.26
Rot. Bonds6

About 5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109230669) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109230669
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3ccc(OC(C)C)cc3)c2)CC1
InChIInChI=1S/C21H28N4O2/c1-4-24-9-11-25(12-10-24)19-13-17(14-22-15-19)21(26)23-18-5-7-20(8-6-18)27-16(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,23,26)
InChIKeyHOGVBUYRQYPAOJ-UHFFFAOYSA-N
XLogP3.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241366
N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230698
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109254254
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109168784
5-N-butan-2-yl-3-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109102415
5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224744
N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230708
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230941
5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109230711
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109223965

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109230669) is 5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is CCN1CCN(c2cncc(C(=O)Nc3ccc(OC(C)C)cc3)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is HOGVBUYRQYPAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-24-9-11-25(12-10-24)19-13-17(14-22-15-19)21(26)23-18-5-7-20(8-6-18)27-16(2)3/h5-8,13-16H,4,9-12H2,1-3H3,(H,23,26).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109230669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).