6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C17H20N4O3 — CID 154638868

IUPAC6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCC(O)c1cc2c(N3CCC(C)(O)CC3)c(C#N)c(=O)[nH]c2cn1
InChIInChI=1S/C17H20N4O3/c1-10(22)13-7-11-14(9-19-13)20-16(23)12(8-18)15(11)21-5-3-17(2,24)4-6-21/h7,9-10,22,24H,3-6H2,1-2H3,(H,20,23)
InChIKeyVMAZREBUNRAZAE-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.20
Rot. Bonds2

About 6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 154638868) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID154638868
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCC(O)c1cc2c(N3CCC(C)(O)CC3)c(C#N)c(=O)[nH]c2cn1
InChIInChI=1S/C17H20N4O3/c1-10(22)13-7-11-14(9-19-13)20-16(23)12(8-18)15(11)21-5-3-17(2,24)4-6-21/h7,9-10,22,24H,3-6H2,1-2H3,(H,20,23)
InChIKeyVMAZREBUNRAZAE-UHFFFAOYSA-N
XLogP1.20
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-7-[[4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168276307
3-ethyl-7-(hydroxymethyl)-1,5-naphthyridin-2(1H)-one
CID 155586944
1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxypropyl)-1-(3-hydroxypropyl)-2-oxo-1,5-naphthyridin-1-ium-3-carboxamide
CID 87934519
4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-6-(2,2,2-trifluoro-1-hydroxyethyl)-1H-1,7-naphthyridine-3-carbonitrile
CID 138518523
1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxypropyl)-2-oxo-1,5-naphthyridine-3-carboxamide
CID 142685092
1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 143931861
4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-6-(2,2,2-trifluoro-1-hydroxyethyl)-1H-1,5-naphthyridine-3-carbonitrile
CID 155019508
1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide
CID 165153177
4-fluoro-7-(hydroxymethyl)-3-methyl-1H-1,5-naphthyridin-2-one
CID 168984354
7-[[4-[6-(1-hydroxycyclopropyl)-3-pyridinyl]piperazin-1-yl]methyl]-4-methyl-3-(trifluoromethyl)-1H-1,5-naphthyridin-2-one
CID 169956792
7-[[4-[6-(hydroxymethyl)-3-pyridinyl]piperazin-1-yl]methyl]-4-methyl-3-(trifluoromethyl)-1H-1,5-naphthyridin-2-one
CID 169957280
7-[[4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]piperazin-1-yl]methyl]-4-methyl-3-(trifluoromethyl)-1H-1,5-naphthyridin-2-one
CID 169957281

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 154638868) is 6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is CC(O)c1cc2c(N3CCC(C)(O)CC3)c(C#N)c(=O)[nH]c2cn1.
What is the InChIKey of 6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is VMAZREBUNRAZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10(22)13-7-11-14(9-19-13)20-16(23)12(8-18)15(11)21-5-3-17(2,24)4-6-21/h7,9-10,22,24H,3-6H2,1-2H3,(H,20,23).
What are the key properties of 6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 328.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)-4-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 154638868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).