2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile

C17H25N3 — CID 81060762

IUPAC2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(N2CCCC(C(C)C)CC2)c(C#N)c(C)n1
InChIInChI=1S/C17H25N3/c1-12(2)15-6-5-8-20(9-7-15)17-10-13(3)19-14(4)16(17)11-18/h10,12,15H,5-9H2,1-4H3
InChIKeyDJFKKLALAQFBJZ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.83
Rot. Bonds2

About 2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile

2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile (PubChem CID 81060762) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile
PubChem CID81060762
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(N2CCCC(C(C)C)CC2)c(C#N)c(C)n1
InChIInChI=1S/C17H25N3/c1-12(2)15-6-5-8-20(9-7-15)17-10-13(3)19-14(4)16(17)11-18/h10,12,15H,5-9H2,1-4H3
InChIKeyDJFKKLALAQFBJZ-UHFFFAOYSA-N
XLogP3.83
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
CID 81060173
2,6-dimethyl-4-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 113282062
4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 103823129
4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396507
4-(3-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 103896228
2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 91645884
4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81052020
4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 81052251
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81060387
4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133391095
4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 81042005
4-(4-ethyl-3-methylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81061155

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile (CID 81060762) is 2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile is Cc1cc(N2CCCC(C(C)C)CC2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile?
The InChIKey is DJFKKLALAQFBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)15-6-5-8-20(9-7-15)17-10-13(3)19-14(4)16(17)11-18/h10,12,15H,5-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile?
2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile has a molecular weight of 271.41 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 81060762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).