2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile

C18H19N5O3 — CID 126873510

IUPAC2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
SMILESCn1nc(C(=O)N2CCC(COc3ncccc3C#N)CC2)ccc1=O
InChIInChI=1S/C18H19N5O3/c1-22-16(24)5-4-15(21-22)18(25)23-9-6-13(7-10-23)12-26-17-14(11-19)3-2-8-20-17/h2-5,8,13H,6-7,9-10,12H2,1H3
InChIKeyAXNYZMSPLGTJTH-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.98
Rot. Bonds4

About 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile

2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 126873510) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
PubChem CID126873510
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
SMILESCn1nc(C(=O)N2CCC(COc3ncccc3C#N)CC2)ccc1=O
InChIInChI=1S/C18H19N5O3/c1-22-16(24)5-4-15(21-22)18(25)23-9-6-13(7-10-23)12-26-17-14(11-19)3-2-8-20-17/h2-5,8,13H,6-7,9-10,12H2,1H3
InChIKeyAXNYZMSPLGTJTH-UHFFFAOYSA-N
XLogP0.98
TPSA101.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873514
3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754469
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121197470
3-[(3R)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100648935
2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873922
2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one
CID 71781081
2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799026
2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 72717266
2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862666
6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one
CID 121190992
2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile
CID 117096458

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile (CID 126873510) is 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile is Cn1nc(C(=O)N2CCC(COc3ncccc3C#N)CC2)ccc1=O.
What is the InChIKey of 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is AXNYZMSPLGTJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-22-16(24)5-4-15(21-22)18(25)23-9-6-13(7-10-23)12-26-17-14(11-19)3-2-8-20-17/h2-5,8,13H,6-7,9-10,12H2,1H3.
What are the key properties of 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 353.38 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 126873510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).