2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile

C12H15N3O — CID 103081967

IUPAC2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
SMILESCOC1CCC(Nc2ncccc2C#N)C1
InChIInChI=1S/C12H15N3O/c1-16-11-5-4-10(7-11)15-12-9(8-13)3-2-6-14-12/h2-3,6,10-11H,4-5,7H2,1H3,(H,14,15)
InChIKeyORFIZVNWMVVACT-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds3

About 2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile

2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile (PubChem CID 103081967) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
PubChem CID103081967
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
SMILESCOC1CCC(Nc2ncccc2C#N)C1
InChIInChI=1S/C12H15N3O/c1-16-11-5-4-10(7-11)15-12-9(8-13)3-2-6-14-12/h2-3,6,10-11H,4-5,7H2,1H3,(H,14,15)
InChIKeyORFIZVNWMVVACT-UHFFFAOYSA-N
XLogP1.93
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
CID 115880942
5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile
CID 103082053
2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonitrile
CID 30690579
2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 74885215
2-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 136588824
2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103082181
N-(3-methoxycyclopentyl)furo[3,2-c]pyridin-4-amine
CID 103082177

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile (CID 103081967) is 2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile is COC1CCC(Nc2ncccc2C#N)C1.
What is the InChIKey of 2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile?
The InChIKey is ORFIZVNWMVVACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-11-5-4-10(7-11)15-12-9(8-13)3-2-6-14-12/h2-3,6,10-11H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile?
2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103081967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).