2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile

C14H19N3O — CID 107404520

IUPAC2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C14H19N3O/c1-11-4-5-12(10-15)13(16-11)17-8-3-6-14(2,18)7-9-17/h4-5,18H,3,6-9H2,1-2H3
InChIKeyCUIMHUHKMNHXTP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.00
Rot. Bonds1

About 2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile

2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile (PubChem CID 107404520) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile
PubChem CID107404520
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C14H19N3O/c1-11-4-5-12(10-15)13(16-11)17-8-3-6-14(2,18)7-9-17/h4-5,18H,3,6-9H2,1-2H3
InChIKeyCUIMHUHKMNHXTP-UHFFFAOYSA-N
XLogP2.00
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-4-methylazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 107404487
2-(8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carbonitrile
CID 55159875
6-methyl-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyridine-3-carbonitrile
CID 56745250
6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
CID 114237200
1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
CID 63126361
1-(3-cyano-6-methyl-2-pyridinyl)-3-propylpiperidine-3-carboxylic acid
CID 63136445
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 172899335
6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile
CID 72917334
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
2-(4-hydroxy-4-methylazepan-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 107404636
2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
CID 62232169

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile (CID 107404520) is 2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCCC(C)(O)CC2)n1.
What is the InChIKey of 2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile?
The InChIKey is CUIMHUHKMNHXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-4-5-12(10-15)13(16-11)17-8-3-6-14(2,18)7-9-17/h4-5,18H,3,6-9H2,1-2H3.
What are the key properties of 2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile?
2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 107404520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).