2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile

C19H23N5O — CID 155974509

IUPAC2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCCc1cc(OCC2CCN(c3cc(C#N)ccn3)CC2)nnc1C
InChIInChI=1S/C19H23N5O/c1-3-17-11-19(23-22-14(17)2)25-13-15-5-8-24(9-6-15)18-10-16(12-20)4-7-21-18/h4,7,10-11,15H,3,5-6,8-9,13H2,1-2H3
InChIKeyRXTFJQJAGSFPKJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.91
Rot. Bonds5

About 2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile

2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 155974509) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID155974509
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCCc1cc(OCC2CCN(c3cc(C#N)ccn3)CC2)nnc1C
InChIInChI=1S/C19H23N5O/c1-3-17-11-19(23-22-14(17)2)25-13-15-5-8-24(9-6-15)18-10-16(12-20)4-7-21-18/h4,7,10-11,15H,3,5-6,8-9,13H2,1-2H3
InChIKeyRXTFJQJAGSFPKJ-UHFFFAOYSA-N
XLogP2.91
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-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

2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 155798471
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 54986436
2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 163344125
4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155974614
4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 150205283
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172899467
2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile
CID 55159492
methyl 1-(4-cyano-2-pyridinyl)piperidine-4-carboxylate;methyl piperidine-4-carboxylate
CID 175877412
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 54989758
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile (CID 155974509) is 2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile is CCc1cc(OCC2CCN(c3cc(C#N)ccn3)CC2)nnc1C.
What is the InChIKey of 2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is RXTFJQJAGSFPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-17-11-19(23-22-14(17)2)25-13-15-5-8-24(9-6-15)18-10-16(12-20)4-7-21-18/h4,7,10-11,15H,3,5-6,8-9,13H2,1-2H3.
What are the key properties of 2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile?
2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 155974509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).