1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile

C13H16N2 — CID 142227675

IUPAC1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile
SMILESCC1(C#N)CCC(Cc2cccnc2)C1
InChIInChI=1S/C13H16N2/c1-13(10-14)5-4-11(8-13)7-12-3-2-6-15-9-12/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyFHXDWJQXUNTVCP-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.95
Rot. Bonds2

About 1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile

1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile (PubChem CID 142227675) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile
PubChem CID142227675
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile
SMILESCC1(C#N)CCC(Cc2cccnc2)C1
InChIInChI=1S/C13H16N2/c1-13(10-14)5-4-11(8-13)7-12-3-2-6-15-9-12/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyFHXDWJQXUNTVCP-UHFFFAOYSA-N
XLogP2.95
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-methylcyclopentane-1-carbonitrile
CID 142227869
[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol
CID 15234849
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile
CID 116842082
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
3-[(3-methoxycyclohex-3-en-1-yl)methyl]pyridine
CID 175121703
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514
3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993
3-benzyl-1-hydroxycyclopentane-1-carbonitrile
CID 14649697
3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine
CID 120903790
4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65118345

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile (CID 142227675) is 1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile is CC1(C#N)CCC(Cc2cccnc2)C1.
What is the InChIKey of 1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile?
The InChIKey is FHXDWJQXUNTVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-13(10-14)5-4-11(8-13)7-12-3-2-6-15-9-12/h2-3,6,9,11H,4-5,7-8H2,1H3.
What are the key properties of 1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile?
1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile has a molecular weight of 200.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 142227675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).