methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate

C14H17N3O3 — CID 170906680

IUPACmethyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)cnc1N1CCC(OC)CC1
InChIInChI=1S/C14H17N3O3/c1-19-11-3-5-17(6-4-11)13-12(14(18)20-2)7-10(8-15)9-16-13/h7,9,11H,3-6H2,1-2H3
InChIKeySVXDZAWBENOBHI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.36
Rot. Bonds3

About methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate

methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate (PubChem CID 170906680) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate
PubChem CID170906680
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)cnc1N1CCC(OC)CC1
InChIInChI=1S/C14H17N3O3/c1-19-11-3-5-17(6-4-11)13-12(14(18)20-2)7-10(8-15)9-16-13/h7,9,11H,3-6H2,1-2H3
InChIKeySVXDZAWBENOBHI-UHFFFAOYSA-N
XLogP1.36
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 114082431
N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103469010
ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 144575641
methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate
CID 114047167
1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
CID 170925735
methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 118263623
methyl 5-bromo-2-[(3S,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
CID 118264148
methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate
CID 148579322
methyl 2-[4-amino-3-(hydroxymethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate
CID 129253288
N-[3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351772
6-(4-acetylpiperidin-1-yl)-5-nitropyridine-3-carbonitrile
CID 103470116
5-amino-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 103467481

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate (CID 170906680) is methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate is COC(=O)c1cc(C#N)cnc1N1CCC(OC)CC1.
What is the InChIKey of methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate?
The InChIKey is SVXDZAWBENOBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-11-3-5-17(6-4-11)13-12(14(18)20-2)7-10(8-15)9-16-13/h7,9,11H,3-6H2,1-2H3.
What are the key properties of methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate?
methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 170906680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).