6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

C18H20N4O3 — CID 155119085

IUPAC6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(C)=O)nc23)CC1
InChIInChI=1S/C18H20N4O3/c1-11(23)13-4-5-14-15(20-13)16(12(10-19)17(24)21-14)22-8-6-18(2,25-3)7-9-22/h4-5H,6-9H2,1-3H3,(H,21,24)
InChIKeyIQLIWQNPLRWIEX-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.00
Rot. Bonds3

About 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 155119085) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID155119085
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(C)=O)nc23)CC1
InChIInChI=1S/C18H20N4O3/c1-11(23)13-4-5-14-15(20-13)16(12(10-19)17(24)21-14)22-8-6-18(2,25-3)7-9-22/h4-5H,6-9H2,1-3H3,(H,21,24)
InChIKeyIQLIWQNPLRWIEX-UHFFFAOYSA-N
XLogP2.00
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-(1-methylazetidin-3-yl)-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 164708389
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide
CID 164708366
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 155019269
6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 164708367
6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 164708397
5-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165071805
4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019490
6-cyclopropyl-3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164959338
N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 155019244
4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 154993592
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164998222
6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 166985710

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 155119085) is 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(C)=O)nc23)CC1.
What is the InChIKey of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is IQLIWQNPLRWIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(23)13-4-5-14-15(20-13)16(12(10-19)17(24)21-14)22-8-6-18(2,25-3)7-9-22/h4-5H,6-9H2,1-3H3,(H,21,24).
What are the key properties of 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 340.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 155119085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).