6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile

C18H25N3O — CID 133356894

IUPAC6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile
SMILESCCOC1CC(N(C)c2ccc(C#N)cn2)C12CCCCC2
InChIInChI=1S/C18H25N3O/c1-3-22-16-11-15(18(16)9-5-4-6-10-18)21(2)17-8-7-14(12-19)13-20-17/h7-8,13,15-16H,3-6,9-11H2,1-2H3
InChIKeyPWVZJBXBEYGKDP-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.52
Rot. Bonds4

About 6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile

6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile (PubChem CID 133356894) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile
PubChem CID133356894
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile
SMILESCCOC1CC(N(C)c2ccc(C#N)cn2)C12CCCCC2
InChIInChI=1S/C18H25N3O/c1-3-22-16-11-15(18(16)9-5-4-6-10-18)21(2)17-8-7-14(12-19)13-20-17/h7-8,13,15-16H,3-6,9-11H2,1-2H3
InChIKeyPWVZJBXBEYGKDP-UHFFFAOYSA-N
XLogP3.52
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 133356876
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile
CID 97026085
5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901051
6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile
CID 170765077
5-chloro-6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carboxamide
CID 133356557
2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine
CID 124576053
N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine
CID 133443597
6-[(4,4-difluorocyclohexyl)-methylamino]pyridine-3-carbonitrile
CID 170765180
3-ethoxy-N-methyl-N-(piperidin-4-ylmethyl)spiro[3.4]octan-1-amine;hydrochloride
CID 119932022
6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile
CID 60706429
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile (CID 133356894) is 6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile is CCOC1CC(N(C)c2ccc(C#N)cn2)C12CCCCC2.
What is the InChIKey of 6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile?
The InChIKey is PWVZJBXBEYGKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-3-22-16-11-15(18(16)9-5-4-6-10-18)21(2)17-8-7-14(12-19)13-20-17/h7-8,13,15-16H,3-6,9-11H2,1-2H3.
What are the key properties of 6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile?
6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile has a molecular weight of 299.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133356894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).