5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride

C22H29Cl2N7O2 — CID 178131901

IUPAC5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C(=O)NNC)nc4)CC3)cc2[nH]c1=O.Cl.Cl
InChIInChI=1S/C22H27N7O2.2ClH/c1-3-16-11-19-20(26-21(16)30)10-15(12-24-19)14-28-6-8-29(9-7-28)17-4-5-18(25-13-17)22(31)27-23-2;;/h4-5,10-13,23H,3,6-9,14H2,1-2H3,(H,26,30)(H,27,31);2*1H
InChIKeyOIXCPECDKPKLPU-UHFFFAOYSA-N
MW494.43 g/mol
LogP1.91
Rot. Bonds6

About 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride

5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride (PubChem CID 178131901) has the molecular formula C22H29Cl2N7O2 and a molecular weight of 494.43 g/mol. Its IUPAC name is 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride.

Molecular Properties

Compound Name5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
PubChem CID178131901
Molecular FormulaC22H29Cl2N7O2
Molecular Weight494.43 g/mol
Exact Mass493.18
IUPAC Name5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C(=O)NNC)nc4)CC3)cc2[nH]c1=O.Cl.Cl
InChIInChI=1S/C22H27N7O2.2ClH/c1-3-16-11-19-20(26-21(16)30)10-15(12-24-19)14-28-6-8-29(9-7-28)17-4-5-18(25-13-17)22(31)27-23-2;;/h4-5,10-13,23H,3,6-9,14H2,1-2H3,(H,26,30)(H,27,31);2*1H
InChIKeyOIXCPECDKPKLPU-UHFFFAOYSA-N
XLogP1.91
TPSA106.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
CID 178131848
3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176581391
5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171812237
5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179049
ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
CID 166088880
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870
trans-(1R,2S)-N-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 172538757
N-cyclopropyl-5-[4-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166021917
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
CID 166082491
(3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid
CID 175428096
CID 166088951
CID 166088951

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride?
The IUPAC name of 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride (CID 178131901) is 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride.
What is the SMILES notation for 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride?
The canonical SMILES for 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride is CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NNC)nc4)CC3)cc2[nH]c1=O.Cl.Cl.
What is the InChIKey of 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride?
The InChIKey is OIXCPECDKPKLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2.2ClH/c1-3-16-11-19-20(26-21(16)30)10-15(12-24-19)14-28-6-8-29(9-7-28)17-4-5-18(25-13-17)22(31)27-23-2;;/h4-5,10-13,23H,3,6-9,14H2,1-2H3,(H,26,30)(H,27,31);2*1H.
What are the key properties of 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride?
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride has a molecular weight of 494.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride is sourced from PubChem (CID 178131901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).