4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile

C14H19N3 — CID 112703461

IUPAC4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC(C)C1CCN(Cc2ccnc(C#N)c2)C1
InChIInChI=1S/C14H19N3/c1-11(2)13-4-6-17(10-13)9-12-3-5-16-14(7-12)8-15/h3,5,7,11,13H,4,6,9-10H2,1-2H3
InChIKeyIIIUGLJNTNMOIL-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.43
Rot. Bonds3

About 4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile

4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 112703461) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID112703461
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC(C)C1CCN(Cc2ccnc(C#N)c2)C1
InChIInChI=1S/C14H19N3/c1-11(2)13-4-6-17(10-13)9-12-3-5-16-14(7-12)8-15/h3,5,7,11,13H,4,6,9-10H2,1-2H3
InChIKeyIIIUGLJNTNMOIL-UHFFFAOYSA-N
XLogP2.43
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 103533479
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridine-2-carbonitrile
CID 63885765
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 63885775
4-[(3-aminopiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63882954
4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448856
2-fluoro-5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 113256193
4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
CID 79932272
4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile
CID 79674868
4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 58394785
4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
CID 63885388

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile (CID 112703461) is 4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile is CC(C)C1CCN(Cc2ccnc(C#N)c2)C1.
What is the InChIKey of 4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is IIIUGLJNTNMOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)13-4-6-17(10-13)9-12-3-5-16-14(7-12)8-15/h3,5,7,11,13H,4,6,9-10H2,1-2H3.
What are the key properties of 4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 112703461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).