2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide

C17H27N5O — CID 119464005

IUPAC2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NCC3CCCNC3)ccn2)CC1
InChIInChI=1S/C17H27N5O/c1-21-7-9-22(10-8-21)16-11-15(4-6-19-16)17(23)20-13-14-3-2-5-18-12-14/h4,6,11,14,18H,2-3,5,7-10,12-13H2,1H3,(H,20,23)
InChIKeyIPJMHGRVPDPATB-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.56
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 119464005) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID119464005
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NCC3CCCNC3)ccn2)CC1
InChIInChI=1S/C17H27N5O/c1-21-7-9-22(10-8-21)16-11-15(4-6-19-16)17(23)20-13-14-3-2-5-18-12-14/h4,6,11,14,18H,2-3,5,7-10,12-13H2,1H3,(H,20,23)
InChIKeyIPJMHGRVPDPATB-UHFFFAOYSA-N
XLogP0.56
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
CID 119428584
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
1-methyl-2-oxo-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
CID 103793639
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone;dihydrochloride
CID 120659972
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119463102

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide (CID 119464005) is 2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)NCC3CCCNC3)ccn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is IPJMHGRVPDPATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-21-7-9-22(10-8-21)16-11-15(4-6-19-16)17(23)20-13-14-3-2-5-18-12-14/h4,6,11,14,18H,2-3,5,7-10,12-13H2,1H3,(H,20,23).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 119464005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).