4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

C21H37Cl2N5O2 — CID 172913376

IUPAC4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCCN1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C21H35N5O2.2ClH/c1-17-6-10-26(16-18-5-3-7-22-15-18)21(28)19(17)20(27)23-8-4-9-25-13-11-24(2)12-14-25;;/h6,10,18,22H,3-5,7-9,11-16H2,1-2H3,(H,23,27);2*1H
InChIKeyGKESFMMOCHJOCQ-UHFFFAOYSA-N
MW462.47 g/mol
LogP1.37
Rot. Bonds7

About 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 172913376) has the molecular formula C21H37Cl2N5O2 and a molecular weight of 462.47 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID172913376
Molecular FormulaC21H37Cl2N5O2
Molecular Weight462.47 g/mol
Exact Mass461.23
IUPAC Name4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCCN1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C21H35N5O2.2ClH/c1-17-6-10-26(16-18-5-3-7-22-15-18)21(28)19(17)20(27)23-8-4-9-25-13-11-24(2)12-14-25;;/h6,10,18,22H,3-5,7-9,11-16H2,1-2H3,(H,23,27);2*1H
InChIKeyGKESFMMOCHJOCQ-UHFFFAOYSA-N
XLogP1.37
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658238
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911176
N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172910581
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715
4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172912500
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172673090
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172663999
N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667879
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172666932
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172659458
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 172673540
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (CID 172913376) is 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCCN1CCN(C)CC1.Cl.Cl.
What is the InChIKey of 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is GKESFMMOCHJOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2.2ClH/c1-17-6-10-26(16-18-5-3-7-22-15-18)21(28)19(17)20(27)23-8-4-9-25-13-11-24(2)12-14-25;;/h6,10,18,22H,3-5,7-9,11-16H2,1-2H3,(H,23,27);2*1H.
What are the key properties of 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 462.47 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 172913376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).