4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

C20H28N4O — CID 133396507

IUPAC4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(C(=O)N3CCCCCC3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C20H28N4O/c1-15-13-19(18(14-21)16(2)22-15)23-11-7-17(8-12-23)20(25)24-9-5-3-4-6-10-24/h13,17H,3-12H2,1-2H3
InChIKeySWQGFCCPPDCWMN-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.19
Rot. Bonds2

About 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133396507) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133396507
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(C(=O)N3CCCCCC3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C20H28N4O/c1-15-13-19(18(14-21)16(2)22-15)23-11-7-17(8-12-23)20(25)24-9-5-3-4-6-10-24/h13,17H,3-12H2,1-2H3
InChIKeySWQGFCCPPDCWMN-UHFFFAOYSA-N
XLogP3.19
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidine-2-carboxylic acid
CID 81050172
1-(3-cyano-2,6-dimethyl-4-pyridinyl)azepane-2-carboxylic acid
CID 81060800
2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile
CID 81060762
4-(3-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 103896228
2,6-dimethyl-4-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 113282062
1-(3-cyano-2,6-dimethyl-4-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81060702
[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 72920814
2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 91645884
3-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]propanoic acid
CID 81049314
4-[3-(aminomethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 81052251
4-(3-amino-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81052020
ethyl 1-(3-cyano-2,6-dimethyl-4-pyridinyl)pyrrolidine-2-carboxylate
CID 81060455

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (CID 133396507) is 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCC(C(=O)N3CCCCCC3)CC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is SWQGFCCPPDCWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-13-19(18(14-21)16(2)22-15)23-11-7-17(8-12-23)20(25)24-9-5-3-4-6-10-24/h13,17H,3-12H2,1-2H3.
What are the key properties of 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 340.47 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133396507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).