5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide

C16H26N4O — CID 109230294

IUPAC5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(N2CCN(C)CC2)c1
InChIInChI=1S/C16H26N4O/c1-3-4-5-6-18-16(21)14-11-15(13-17-12-14)20-9-7-19(2)8-10-20/h11-13H,3-10H2,1-2H3,(H,18,21)
InChIKeyWPJGXQJQTPUGJS-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.75
Rot. Bonds6

About 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide

5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide (PubChem CID 109230294) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
PubChem CID109230294
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(N2CCN(C)CC2)c1
InChIInChI=1S/C16H26N4O/c1-3-4-5-6-18-16(21)14-11-15(13-17-12-14)20-9-7-19(2)8-10-20/h11-13H,3-10H2,1-2H3,(H,18,21)
InChIKeyWPJGXQJQTPUGJS-UHFFFAOYSA-N
XLogP1.75
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230260
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106571
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109224407
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230262
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109229091
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 109222825
3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107218

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide (CID 109230294) is 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1cncc(N2CCN(C)CC2)c1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide?
The InChIKey is WPJGXQJQTPUGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-4-5-6-18-16(21)14-11-15(13-17-12-14)20-9-7-19(2)8-10-20/h11-13H,3-10H2,1-2H3,(H,18,21).
What are the key properties of 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide?
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.75, 6 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-pentylpyridine-3-carboxamide is sourced from PubChem (CID 109230294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).