2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride

C14H23Cl2N5O2 — CID 119850254

IUPAC2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C14H21N5O2.2ClH/c15-5-1-4-12(20)18-7-9-19(10-8-18)14-11(13(16)21)3-2-6-17-14;;/h2-3,6H,1,4-5,7-10,15H2,(H2,16,21);2*1H
InChIKeyQGRNLGFCKODLOC-UHFFFAOYSA-N
MW364.28 g/mol
LogP0.41
Rot. Bonds5

About 2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride

2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119850254) has the molecular formula C14H23Cl2N5O2 and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119850254
Molecular FormulaC14H23Cl2N5O2
Molecular Weight364.28 g/mol
Exact Mass363.12
IUPAC Name2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C14H21N5O2.2ClH/c15-5-1-4-12(20)18-7-9-19(10-8-18)14-11(13(16)21)3-2-6-17-14;;/h2-3,6H,1,4-5,7-10,15H2,(H2,16,21);2*1H
InChIKeyQGRNLGFCKODLOC-UHFFFAOYSA-N
XLogP0.41
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
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2-[4-[3-(4-bromo-2-fluorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide
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CID 131943936
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47087134
4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119894828
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 155943283
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CID 163287557
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
4-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one;dihydrochloride
CID 119863990

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride (CID 119850254) is 2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride is Cl.Cl.NCCCC(=O)N1CCN(c2ncccc2C(N)=O)CC1.
What is the InChIKey of 2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is QGRNLGFCKODLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2.2ClH/c15-5-1-4-12(20)18-7-9-19(10-8-18)14-11(13(16)21)3-2-6-17-14;;/h2-3,6H,1,4-5,7-10,15H2,(H2,16,21);2*1H.
What are the key properties of 2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride?
2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 364.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119850254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).