6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile

C16H21N3O — CID 166291681

IUPAC6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCCC2C2CCCOC2)n1
InChIInChI=1S/C16H21N3O/c1-12-6-7-13(10-17)16(18-12)19-8-2-5-15(19)14-4-3-9-20-11-14/h6-7,14-15H,2-5,8-9,11H2,1H3
InChIKeyRDWKVPACFGZUBP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.66
Rot. Bonds2

About 6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile

6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 166291681) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID166291681
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCCC2C2CCCOC2)n1
InChIInChI=1S/C16H21N3O/c1-12-6-7-13(10-17)16(18-12)19-8-2-5-15(19)14-4-3-9-20-11-14/h6-7,14-15H,2-5,8-9,11H2,1H3
InChIKeyRDWKVPACFGZUBP-UHFFFAOYSA-N
XLogP2.66
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166239192
methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate
CID 104774583
2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 129447224
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridazine-4-carbonitrile
CID 80510301
6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
CID 114237200
1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431329
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 172899335
2-(2-cyclopentylpyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 61064395
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile
CID 112755060
6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
CID 57401602

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 166291681) is 6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCCC2C2CCCOC2)n1.
What is the InChIKey of 6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RDWKVPACFGZUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-6-7-13(10-17)16(18-12)19-8-2-5-15(19)14-4-3-9-20-11-14/h6-7,14-15H,2-5,8-9,11H2,1H3.
What are the key properties of 6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 271.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(oxan-3-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 166291681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).