3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile

C15H19N3 — CID 114460087

IUPAC3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile
SMILESCC(C)(C)C1=CCN(c2cccnc2C#N)CC1
InChIInChI=1S/C15H19N3/c1-15(2,3)12-6-9-18(10-7-12)14-5-4-8-17-13(14)11-16/h4-6,8H,7,9-10H2,1-3H3
InChIKeyRTECMHJFPUBGGG-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.14
Rot. Bonds1

About 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile

3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile (PubChem CID 114460087) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile
PubChem CID114460087
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile
SMILESCC(C)(C)C1=CCN(c2cccnc2C#N)CC1
InChIInChI=1S/C15H19N3/c1-15(2,3)12-6-9-18(10-7-12)14-5-4-8-17-13(14)11-16/h4-6,8H,7,9-10H2,1-3H3
InChIKeyRTECMHJFPUBGGG-UHFFFAOYSA-N
XLogP3.14
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyridine-2-carbonitrile
CID 106546619
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-4-carbonitrile
CID 115883870
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile
CID 107545360
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile
CID 115774288
[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine
CID 114489498
N-tert-butyl-1-(2-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 155974197
3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxylic acid
CID 114490783
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-chlorobenzoic acid
CID 114460457
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanamine
CID 114460236
3-(1,1-dioxo-1,4-thiazepan-4-yl)pyridine-2-carbonitrile
CID 114083443
(1S)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanol
CID 104929030
[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methylsulfanylphenyl]methanamine
CID 114459791

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile (CID 114460087) is 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile is CC(C)(C)C1=CCN(c2cccnc2C#N)CC1.
What is the InChIKey of 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile?
The InChIKey is RTECMHJFPUBGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(2,3)12-6-9-18(10-7-12)14-5-4-8-17-13(14)11-16/h4-6,8H,7,9-10H2,1-3H3.
What are the key properties of 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile?
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile has a molecular weight of 241.34 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 114460087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).