2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile

C12H15N3O — CID 71862352

IUPAC2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(CC1CCOC1)c1ncccc1C#N
InChIInChI=1S/C12H15N3O/c1-15(8-10-4-6-16-9-10)12-11(7-13)3-2-5-14-12/h2-3,5,10H,4,6,8-9H2,1H3
InChIKeyVLTYHIXLLHWFGE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.43
Rot. Bonds3

About 2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile

2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile (PubChem CID 71862352) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
PubChem CID71862352
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(CC1CCOC1)c1ncccc1C#N
InChIInChI=1S/C12H15N3O/c1-15(8-10-4-6-16-9-10)12-11(7-13)3-2-5-14-12/h2-3,5,10H,4,6,8-9H2,1H3
InChIKeyVLTYHIXLLHWFGE-UHFFFAOYSA-N
XLogP1.43
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61222214
3-amino-2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile
CID 82812956
2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 43009194
N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine
CID 133455194
2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719604
2-(diethylamino)pyridine-3-carbonitrile
CID 10012430
4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
CID 99703962
2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133305271
N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine
CID 130899262
N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455197
2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
CID 71922518

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile (CID 71862352) is 2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile is CN(CC1CCOC1)c1ncccc1C#N.
What is the InChIKey of 2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile?
The InChIKey is VLTYHIXLLHWFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(8-10-4-6-16-9-10)12-11(7-13)3-2-5-14-12/h2-3,5,10H,4,6,8-9H2,1H3.
What are the key properties of 2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile?
2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 71862352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).