6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile

C15H19N3O — CID 65281399

IUPAC6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile
SMILESCC1(C)CCCN(C(=O)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C15H19N3O/c1-15(2)6-3-8-18(9-7-15)14(19)13-5-4-12(10-16)11-17-13/h4-5,11H,3,6-9H2,1-2H3
InChIKeyQRRUIFMRABDISZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds1

About 6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile

6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile (PubChem CID 65281399) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile
PubChem CID65281399
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile
SMILESCC1(C)CCCN(C(=O)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C15H19N3O/c1-15(2)6-3-8-18(9-7-15)14(19)13-5-4-12(10-16)11-17-13/h4-5,11H,3,6-9H2,1-2H3
InChIKeyQRRUIFMRABDISZ-UHFFFAOYSA-N
XLogP2.61
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-3-carbonitrile
CID 78950104
6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63719374
6-(4-aminopiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 63723580
6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile
CID 102849542
1-(5-cyanopyridine-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63724192
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
6-[4-(2-chloroethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carbonitrile
CID 63750103
6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63724415
6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 103900440
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 63717900
(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile (CID 65281399) is 6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile is CC1(C)CCCN(C(=O)c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile?
The InChIKey is QRRUIFMRABDISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)6-3-8-18(9-7-15)14(19)13-5-4-12(10-16)11-17-13/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of 6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile?
6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 65281399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).