4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile

C12H15N3O — CID 82739079

IUPAC4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
SMILESCC1OCCC1N(C)c1ccnc(C#N)c1
InChIInChI=1S/C12H15N3O/c1-9-12(4-6-16-9)15(2)11-3-5-14-10(7-11)8-13/h3,5,7,9,12H,4,6H2,1-2H3
InChIKeyFWPPFUJAGVKUAB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.57
Rot. Bonds2

About 4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile

4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile (PubChem CID 82739079) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
PubChem CID82739079
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
SMILESCC1OCCC1N(C)c1ccnc(C#N)c1
InChIInChI=1S/C12H15N3O/c1-9-12(4-6-16-9)15(2)11-3-5-14-10(7-11)8-13/h3,5,7,9,12H,4,6H2,1-2H3
InChIKeyFWPPFUJAGVKUAB-UHFFFAOYSA-N
XLogP1.57
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile
CID 62491803
5-[methyl-(2-methyloxolan-3-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 82737690
3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229
3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
CID 103468909
4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62925478
3-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]benzonitrile
CID 82738529
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 63234581
4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride
CID 69426314
4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile
CID 55157250
N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine
CID 82742719
4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile
CID 62938149
2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 107543747

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile (CID 82739079) is 4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile is CC1OCCC1N(C)c1ccnc(C#N)c1.
What is the InChIKey of 4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile?
The InChIKey is FWPPFUJAGVKUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-12(4-6-16-9)15(2)11-3-5-14-10(7-11)8-13/h3,5,7,9,12H,4,6H2,1-2H3.
What are the key properties of 4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile?
4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 82739079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).