6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid

C14H20N2O3 — CID 114119978

IUPAC6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOC1CC(NCc2cccc(C(=O)O)n2)C1(C)C
InChIInChI=1S/C14H20N2O3/c1-14(2)11(7-12(14)19-3)15-8-9-5-4-6-10(16-9)13(17)18/h4-6,11-12,15H,7-8H2,1-3H3,(H,17,18)
InChIKeyXABCNFHHTPGAFU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.68
Rot. Bonds5

About 6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid

6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 114119978) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID114119978
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOC1CC(NCc2cccc(C(=O)O)n2)C1(C)C
InChIInChI=1S/C14H20N2O3/c1-14(2)11(7-12(14)19-3)15-8-9-5-4-6-10(16-9)13(17)18/h4-6,11-12,15H,7-8H2,1-3H3,(H,17,18)
InChIKeyXABCNFHHTPGAFU-UHFFFAOYSA-N
XLogP1.68
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904706
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904960
N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743110
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
N-[(3-iodophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 114282912
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[(thian-4-ylmethylamino)methyl]pyridine-2-carboxylic acid
CID 106904943

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid (CID 114119978) is 6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid is COC1CC(NCc2cccc(C(=O)O)n2)C1(C)C.
What is the InChIKey of 6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is XABCNFHHTPGAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)11(7-12(14)19-3)15-8-9-5-4-6-10(16-9)13(17)18/h4-6,11-12,15H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid?
6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114119978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).