N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide

C17H28N4O — CID 110442851

IUPACN-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
SMILESCCN1CCN(CCCCCNC(=O)c2cccnc2)CC1
InChIInChI=1S/C17H28N4O/c1-2-20-11-13-21(14-12-20)10-5-3-4-9-19-17(22)16-7-6-8-18-15-16/h6-8,15H,2-5,9-14H2,1H3,(H,19,22)
InChIKeySREFIJKLHDWBHA-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.62
Rot. Bonds8

About N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide

N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide (PubChem CID 110442851) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
PubChem CID110442851
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
SMILESCCN1CCN(CCCCCNC(=O)c2cccnc2)CC1
InChIInChI=1S/C17H28N4O/c1-2-20-11-13-21(14-12-20)10-5-3-4-9-19-17(22)16-7-6-8-18-15-16/h6-8,15H,2-5,9-14H2,1H3,(H,19,22)
InChIKeySREFIJKLHDWBHA-UHFFFAOYSA-N
XLogP1.62
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.62
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

N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
CID 110444371
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110444367
N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111387720
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide (CID 110442851) is N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide is CCN1CCN(CCCCCNC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide?
The InChIKey is SREFIJKLHDWBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-20-11-13-21(14-12-20)10-5-3-4-9-19-17(22)16-7-6-8-18-15-16/h6-8,15H,2-5,9-14H2,1H3,(H,19,22).
What are the key properties of N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide?
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide is sourced from PubChem (CID 110442851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).