methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate

C20H22N4O4 — CID 129278018

IUPACmethyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(N2CCC(Oc3ccc(OC)nc3)CC2)nc1C#N
InChIInChI=1S/C20H22N4O4/c1-13-10-17(23-16(11-21)19(13)20(25)27-3)24-8-6-14(7-9-24)28-15-4-5-18(26-2)22-12-15/h4-5,10,12,14H,6-9H2,1-3H3
InChIKeyVOFGZVDKQZRBAL-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.50
Rot. Bonds5

About methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate

methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate (PubChem CID 129278018) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate
PubChem CID129278018
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Namemethyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(N2CCC(Oc3ccc(OC)nc3)CC2)nc1C#N
InChIInChI=1S/C20H22N4O4/c1-13-10-17(23-16(11-21)19(13)20(25)27-3)24-8-6-14(7-9-24)28-15-4-5-18(26-2)22-12-15/h4-5,10,12,14H,6-9H2,1-3H3
InChIKeyVOFGZVDKQZRBAL-UHFFFAOYSA-N
XLogP2.50
TPSA97.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate with MolForge

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Related Compounds

2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one
CID 135153778
3-[1-(3-methyl-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxybenzonitrile
CID 135154616
7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 135171475
Methyl 6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carboxylate
CID 54670763
Pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate
CID 11617441
2-[(3R,4S)-4-[(6-methoxy-3-pyridinyl)oxy]-3-methylpiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277719
US9546152, example 87
CID 74221988
Methyl 2-[4-(3-fluorophenoxy)-1-piperidinyl]nicotinate
CID 70770424
Ethyl 6-[4-[[3-[(6-amino-3-pyridinyl)oxy]-2-hydroxypropyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 15491304
2-(2-Methylpyrrolidin-1-yl)-5-{[4-(pyridin-3-yloxy)piperidin-1-yl]carbonyl}pyridine
CID 56739800
3-[Methyl(5-{[4-(pyridin-3-yloxy)piperidin-1-yl]carbonyl}pyridin-2-yl)amino]propane-1,2-diol
CID 56741251
4-(5-{[4-(Pyridin-3-yloxy)piperidin-1-yl]carbonyl}pyridin-2-yl)-1,4-oxazepane
CID 56752076

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate (CID 129278018) is methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate is COC(=O)c1c(C)cc(N2CCC(Oc3ccc(OC)nc3)CC2)nc1C#N.
What is the InChIKey of methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate?
The InChIKey is VOFGZVDKQZRBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13-10-17(23-16(11-21)19(13)20(25)27-3)24-8-6-14(7-9-24)28-15-4-5-18(26-2)22-12-15/h4-5,10,12,14H,6-9H2,1-3H3.
What are the key properties of methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate?
methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 129278018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).