5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile

C12H15N3O — CID 102609185

IUPAC5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile
SMILESCCOC1CC(Nc2ccc(C#N)nc2)C1
InChIInChI=1S/C12H15N3O/c1-2-16-12-5-11(6-12)15-10-4-3-9(7-13)14-8-10/h3-4,8,11-12,15H,2,5-6H2,1H3
InChIKeySZJVSRQFWDDQSP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds4

About 5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile

5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile (PubChem CID 102609185) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile
PubChem CID102609185
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile
SMILESCCOC1CC(Nc2ccc(C#N)nc2)C1
InChIInChI=1S/C12H15N3O/c1-2-16-12-5-11(6-12)15-10-4-3-9(7-13)14-8-10/h3-4,8,11-12,15H,2,5-6H2,1H3
InChIKeySZJVSRQFWDDQSP-UHFFFAOYSA-N
XLogP1.93
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 79840147
5-[(3-methylsulfanylcyclohexyl)amino]pyridine-2-carbonitrile
CID 91659454
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
5-(piperidin-3-ylamino)pyridine-2-carbonitrile
CID 115490388
N-(3-ethoxycyclobutyl)quinolin-6-amine
CID 112573906
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 115929864
2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile
CID 102609273
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
CID 106328906

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile (CID 102609185) is 5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile is CCOC1CC(Nc2ccc(C#N)nc2)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile?
The InChIKey is SZJVSRQFWDDQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-16-12-5-11(6-12)15-10-4-3-9(7-13)14-8-10/h3-4,8,11-12,15H,2,5-6H2,1H3.
What are the key properties of 5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile?
5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 102609185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).