6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid

C14H20N2O3 — CID 122051945

IUPAC6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid
SMILESCOC1(C)CCCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C14H20N2O3/c1-14(19-2)7-4-9-16(10-8-14)12-6-3-5-11(15-12)13(17)18/h3,5-6H,4,7-10H2,1-2H3,(H,17,18)
InChIKeyVRWDNROYGQUQGZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.18
Rot. Bonds3

About 6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid

6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid (PubChem CID 122051945) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid
PubChem CID122051945
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid
SMILESCOC1(C)CCCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C14H20N2O3/c1-14(19-2)7-4-9-16(10-8-14)12-6-3-5-11(15-12)13(17)18/h3,5-6H,4,7-10H2,1-2H3,(H,17,18)
InChIKeyVRWDNROYGQUQGZ-UHFFFAOYSA-N
XLogP2.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066
6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid
CID 70744567
6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 86282981
6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid
CID 122057283
6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid
CID 122057759
6-[3-ethoxycarbonyl-3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122057167
6-[3-methoxycarbonyl-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057874
1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone
CID 169266288
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 62239023
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
2-methyl-1-(6-pyrrolidin-1-yl-2-pyridinyl)propan-1-one
CID 83888265

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid (CID 122051945) is 6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid is COC1(C)CCCN(c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid?
The InChIKey is VRWDNROYGQUQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(19-2)7-4-9-16(10-8-14)12-6-3-5-11(15-12)13(17)18/h3,5-6H,4,7-10H2,1-2H3,(H,17,18).
What are the key properties of 6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid?
6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122051945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).