5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide

C19H24N4O — CID 109230257

IUPAC5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCN1CCN(c2cncc(C(=O)NCCc3ccccc3)c2)CC1
InChIInChI=1S/C19H24N4O/c1-22-9-11-23(12-10-22)18-13-17(14-20-15-18)19(24)21-8-7-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,21,24)
InChIKeyLYONEYXDEBSJFK-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.81
Rot. Bonds5

About 5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide

5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 109230257) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID109230257
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCN1CCN(c2cncc(C(=O)NCCc3ccccc3)c2)CC1
InChIInChI=1S/C19H24N4O/c1-22-9-11-23(12-10-22)18-13-17(14-20-15-18)19(24)21-8-7-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,21,24)
InChIKeyLYONEYXDEBSJFK-UHFFFAOYSA-N
XLogP1.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230260
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230262
5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109231191
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294
5-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109231183
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227214
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667
3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101366
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
N-[2-(2-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226480

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 109230257) is 5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide is CN1CCN(c2cncc(C(=O)NCCc3ccccc3)c2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is LYONEYXDEBSJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22-9-11-23(12-10-22)18-13-17(14-20-15-18)19(24)21-8-7-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,21,24).
What are the key properties of 5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide?
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109230257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).