2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile

C24H28N6O2 — CID 90644102

IUPAC2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile
SMILESCc1ncc(CNC2CCN(CCn3c(=O)ccc4c3ccc(=O)n4C)CC2)cc1C#N
InChIInChI=1S/C24H28N6O2/c1-17-19(14-25)13-18(15-26-17)16-27-20-7-9-29(10-8-20)11-12-30-22-4-5-23(31)28(2)21(22)3-6-24(30)32/h3-6,13,15,20,27H,7-12,16H2,1-2H3
InChIKeyVRFGHMZCFXVNNY-UHFFFAOYSA-N
MW432.53 g/mol
LogP1.53
Rot. Bonds6

About 2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile

2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile (PubChem CID 90644102) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile
PubChem CID90644102
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile
SMILESCc1ncc(CNC2CCN(CCn3c(=O)ccc4c3ccc(=O)n4C)CC2)cc1C#N
InChIInChI=1S/C24H28N6O2/c1-17-19(14-25)13-18(15-26-17)16-27-20-7-9-29(10-8-20)11-12-30-22-4-5-23(31)28(2)21(22)3-6-24(30)32/h3-6,13,15,20,27H,7-12,16H2,1-2H3
InChIKeyVRFGHMZCFXVNNY-UHFFFAOYSA-N
XLogP1.53
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

Tagorizine
CID 6436051
UR-12460
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1-(3-(N-(Methoxycarbonyl)amino)-3-phenylpropanoyl)-4-((2-methyl-3-pyridyl)cyanomethyl)piperazine
CID 3025824
Parp1-IN-7
CID 126602424
N'-(2-Phenylethyl)-N-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017378
2-[4-(Cyano-pyridin-3-yl-methyl)-piperazin-1-yl]-N-(3,3-diphenyl-propyl)-acetamide; hydrate
CID 9981367
N-Benzhydryl-N-(2-{4-[cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-2-oxo-ethyl)-acetamide
CID 9982678
[4-(2-Phenylamino-acetyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile
CID 9997078
N-(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-acetamide
CID 10001344
{4-[3-(Benzhydryl-amino)-propionyl]-piperazin-1-yl}-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10004065
{4-[3-(Benzhydryl-amino)-propionyl]-piperazin-1-yl}-pyridin-4-yl-acetonitrile; hydrate; diethylether
CID 10026204
(2-Methyl-pyridin-3-yl)-[4-(3-phenyl-3-phenylamino-propionyl)-piperazin-1-yl]-acetonitrile
CID 10048850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile (CID 90644102) is 2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile is Cc1ncc(CNC2CCN(CCn3c(=O)ccc4c3ccc(=O)n4C)CC2)cc1C#N.
What is the InChIKey of 2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile?
The InChIKey is VRFGHMZCFXVNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17-19(14-25)13-18(15-26-17)16-27-20-7-9-29(10-8-20)11-12-30-22-4-5-23(31)28(2)21(22)3-6-24(30)32/h3-6,13,15,20,27H,7-12,16H2,1-2H3.
What are the key properties of 2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile?
2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile has a molecular weight of 432.53 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[1-[2-(5-methyl-2,6-dioxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 90644102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).