2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile

C12H15N3O — CID 62807946

IUPAC2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCC(N)CC1
InChIInChI=1S/C12H15N3O/c13-8-9-2-1-7-15-12(9)16-11-5-3-10(14)4-6-11/h1-2,7,10-11H,3-6,14H2
InChIKeyCZMXMRQHXNJAEN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.60
Rot. Bonds2

About 2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile

2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile (PubChem CID 62807946) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile
PubChem CID62807946
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCC(N)CC1
InChIInChI=1S/C12H15N3O/c13-8-9-2-1-7-15-12(9)16-11-5-3-10(14)4-6-11/h1-2,7,10-11H,3-6,14H2
InChIKeyCZMXMRQHXNJAEN-UHFFFAOYSA-N
XLogP1.60
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenoxynicotinonitrile
CID 84242
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
6-{[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 10339570
6-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 23646143
2-(Pyridin-3-ylmethoxy)aniline
CID 8027171
4-Anilino-2-methoxynicotinonitrile
CID 657577
(4-Methoxy-phenyl)-pyridin-3-ylmethyl-amine
CID 742765
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
2-(Benzyloxy)pyridine
CID 295859
3-methyl-2-[(1S)-1-phenylethoxy]-4-(piperidin-4-yl)pyridine
CID 25263334
(4-Ethoxy-benzyl)-pyridin-3-ylmethyl-amine
CID 834002

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile?
The IUPAC name of 2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile (CID 62807946) is 2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile?
The canonical SMILES for 2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile?
The InChIKey is CZMXMRQHXNJAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-8-9-2-1-7-15-12(9)16-11-5-3-10(14)4-6-11/h1-2,7,10-11H,3-6,14H2.
What are the key properties of 2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile?
2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile is sourced from PubChem (CID 62807946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).