3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen

C24H31N5O2 — CID 176581391

IUPAC3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C(=O)C(C)C)nc4)CC3)cc2[nH]c1=O.[H][H]
InChIInChI=1S/C24H29N5O2.H2/c1-4-18-12-21-22(27-24(18)31)11-17(13-25-21)15-28-7-9-29(10-8-28)19-5-6-20(26-14-19)23(30)16(2)3;/h5-6,11-14,16H,4,7-10,15H2,1-3H3,(H,27,31);1H
InChIKeyJYWYFHOUPHAYLU-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.29
Rot. Bonds6

About 3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen

3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen (PubChem CID 176581391) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
PubChem CID176581391
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C(=O)C(C)C)nc4)CC3)cc2[nH]c1=O.[H][H]
InChIInChI=1S/C24H29N5O2.H2/c1-4-18-12-21-22(27-24(18)31)11-17(13-25-21)15-28-7-9-29(10-8-28)19-5-6-20(26-14-19)23(30)16(2)3;/h5-6,11-14,16H,4,7-10,15H2,1-3H3,(H,27,31);1H
InChIKeyJYWYFHOUPHAYLU-UHFFFAOYSA-N
XLogP3.29
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901
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
(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
3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 177022419
3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
CID 171487996
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
CID 166082491
5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171812237
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-pyrrolidin-1-ylbenzamide
CID 178131728
3-ethyl-7-[[4-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166082745

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen?
The IUPAC name of 3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen (CID 176581391) is 3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen.
What is the SMILES notation for 3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen?
The canonical SMILES for 3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen is CCc1cc2ncc(CN3CCN(c4ccc(C(=O)C(C)C)nc4)CC3)cc2[nH]c1=O.[H][H].
What is the InChIKey of 3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen?
The InChIKey is JYWYFHOUPHAYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2.H2/c1-4-18-12-21-22(27-24(18)31)11-17(13-25-21)15-28-7-9-29(10-8-28)19-5-6-20(26-14-19)23(30)16(2)3;/h5-6,11-14,16H,4,7-10,15H2,1-3H3,(H,27,31);1H.
What are the key properties of 3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen?
3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen has a molecular weight of 421.55 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen is sourced from PubChem (CID 176581391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).