5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide

C16H26N4O — CID 109186486

IUPAC5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-3-4-5-8-17-16(21)15-7-6-14(13-18-15)20-11-9-19(2)10-12-20/h6-7,13H,3-5,8-12H2,1-2H3,(H,17,21)
InChIKeyCNKMLZMXIHQPQB-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.75
Rot. Bonds6

About 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide

5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide (PubChem CID 109186486) 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-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
PubChem CID109186486
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-3-4-5-8-17-16(21)15-7-6-14(13-18-15)20-11-9-19(2)10-12-20/h6-7,13H,3-5,8-12H2,1-2H3,(H,17,21)
InChIKeyCNKMLZMXIHQPQB-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-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109194312
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
CID 109195891
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354
5-(4-benzylpiperidin-1-yl)-N-butylpyridine-2-carboxamide
CID 109180700
2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
CID 109094346
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294
N-[3-(dimethylamino)propyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182724
5-(2-ethylpiperidin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109195721
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109288007
N-butyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109296654

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide (CID 109186486) is 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1ccc(N2CCN(C)CC2)cn1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide?
The InChIKey is CNKMLZMXIHQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-4-5-8-17-16(21)15-7-6-14(13-18-15)20-11-9-19(2)10-12-20/h6-7,13H,3-5,8-12H2,1-2H3,(H,17,21).
What are the key properties of 5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide?
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-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-2-carboxamide is sourced from PubChem (CID 109186486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).