6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide

C15H25N5O — CID 119392462

IUPAC6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCCN2CCNCC2)cn1
InChIInChI=1S/C15H25N5O/c1-19(2)14-5-4-13(12-18-14)15(21)17-6-3-9-20-10-7-16-8-11-20/h4-5,12,16H,3,6-11H2,1-2H3,(H,17,21)
InChIKeyQVUGDRJSEAQCFM-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.17
Rot. Bonds6

About 6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide

6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 119392462) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID119392462
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCCN2CCNCC2)cn1
InChIInChI=1S/C15H25N5O/c1-19(2)14-5-4-13(12-18-14)15(21)17-6-3-9-20-10-7-16-8-11-20/h4-5,12,16H,3,6-11H2,1-2H3,(H,17,21)
InChIKeyQVUGDRJSEAQCFM-UHFFFAOYSA-N
XLogP0.17
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119393326
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 58772630
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
6-(dimethylamino)-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide
CID 71942372
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide (CID 119392462) is 6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NCCCN2CCNCC2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is QVUGDRJSEAQCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-19(2)14-5-4-13(12-18-14)15(21)17-6-3-9-20-10-7-16-8-11-20/h4-5,12,16H,3,6-11H2,1-2H3,(H,17,21).
What are the key properties of 6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 119392462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).