4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile

C12H15N3O — CID 103533479

IUPAC4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCOC1CCN(Cc2ccnc(C#N)c2)C1
InChIInChI=1S/C12H15N3O/c1-16-12-3-5-15(9-12)8-10-2-4-14-11(6-10)7-13/h2,4,6,12H,3,5,8-9H2,1H3
InChIKeyKAKIJOGEKGKVCT-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.17
Rot. Bonds3

About 4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile

4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 103533479) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID103533479
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCOC1CCN(Cc2ccnc(C#N)c2)C1
InChIInChI=1S/C12H15N3O/c1-16-12-3-5-15(9-12)8-10-2-4-14-11(6-10)7-13/h2,4,6,12H,3,5,8-9H2,1H3
InChIKeyKAKIJOGEKGKVCT-UHFFFAOYSA-N
XLogP1.17
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 112703461
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridine-2-carbonitrile
CID 63885765
4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448856
4-[(3-aminopiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63882954
4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
CID 79932272
4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile
CID 79674868
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 63885775
4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 58394785
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
CID 63885388

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile (CID 103533479) is 4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile is COC1CCN(Cc2ccnc(C#N)c2)C1.
What is the InChIKey of 4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is KAKIJOGEKGKVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-12-3-5-15(9-12)8-10-2-4-14-11(6-10)7-13/h2,4,6,12H,3,5,8-9H2,1H3.
What are the key properties of 4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 103533479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).