2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile

C13H17N3 — CID 63305762

IUPAC2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
SMILESCc1cccnc1CNC1CCCC1C#N
InChIInChI=1S/C13H17N3/c1-10-4-3-7-15-13(10)9-16-12-6-2-5-11(12)8-14/h3-4,7,11-12,16H,2,5-6,9H2,1H3
InChIKeyHVYOSIHDHVDDIM-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.17
Rot. Bonds3

About 2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile

2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 63305762) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
PubChem CID63305762
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
SMILESCc1cccnc1CNC1CCCC1C#N
InChIInChI=1S/C13H17N3/c1-10-4-3-7-15-13(10)9-16-12-6-2-5-11(12)8-14/h3-4,7,11-12,16H,2,5-6,9H2,1H3
InChIKeyHVYOSIHDHVDDIM-UHFFFAOYSA-N
XLogP2.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
5-Ethyl-2-methylpyridine
CID 7728
Rivanicline
CID 5310967
(-)-Anatabine
CID 11388
(R)-Nornicotine
CID 93047
(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
CID 261474
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
N-Desmethylpheniramine
CID 161283
(S)-nicotinium(1+)
CID 6919000
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
(R)-(+)-Anatabine
CID 12306779

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile (CID 63305762) is 2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile is Cc1cccnc1CNC1CCCC1C#N.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is HVYOSIHDHVDDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-3-7-15-13(10)9-16-12-6-2-5-11(12)8-14/h3-4,7,11-12,16H,2,5-6,9H2,1H3.
What are the key properties of 2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile?
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 63305762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).