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

C16H26N4O — CID 109224744

IUPAC5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)NCC(C)C)c2)CC1
InChIInChI=1S/C16H26N4O/c1-4-19-5-7-20(8-6-19)15-9-14(11-17-12-15)16(21)18-10-13(2)3/h9,11-13H,4-8,10H2,1-3H3,(H,18,21)
InChIKeyPUJIDUKBOLXSFF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.61
Rot. Bonds5

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

5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 109224744) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID109224744
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)NCC(C)C)c2)CC1
InChIInChI=1S/C16H26N4O/c1-4-19-5-7-20(8-6-19)15-9-14(11-17-12-15)16(21)18-10-13(2)3/h9,11-13H,4-8,10H2,1-3H3,(H,18,21)
InChIKeyPUJIDUKBOLXSFF-UHFFFAOYSA-N
XLogP1.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109223965
N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109229091
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230698
N-(3-methylbutyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228614
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
N-(1,1-dioxothiolan-3-yl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230591
5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109230711
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 109225700
N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123
N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230708
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide (CID 109224744) is 5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide is CCN1CCN(c2cncc(C(=O)NCC(C)C)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is PUJIDUKBOLXSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-19-5-7-20(8-6-19)15-9-14(11-17-12-15)16(21)18-10-13(2)3/h9,11-13H,4-8,10H2,1-3H3,(H,18,21).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide?
5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109224744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).