6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid

C13H17N3O3 — CID 150357745

IUPAC6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOc1ccc(NC2CC3CC2N(C(=O)O)C3)nc1
InChIInChI=1S/C13H17N3O3/c1-19-9-2-3-12(14-6-9)15-10-4-8-5-11(10)16(7-8)13(17)18/h2-3,6,8,10-11H,4-5,7H2,1H3,(H,14,15)(H,17,18)
InChIKeyGVBYRNDLDJHWOE-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.64
Rot. Bonds3

About 6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid

6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 150357745) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID150357745
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOc1ccc(NC2CC3CC2N(C(=O)O)C3)nc1
InChIInChI=1S/C13H17N3O3/c1-19-9-2-3-12(14-6-9)15-10-4-8-5-11(10)16(7-8)13(17)18/h2-3,6,8,10-11H,4-5,7H2,1H3,(H,14,15)(H,17,18)
InChIKeyGVBYRNDLDJHWOE-UHFFFAOYSA-N
XLogP1.64
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Related Compounds

[4-methoxy-2-(triazol-2-yl)phenyl]-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 150453523
tert-butyl (1S,4S,6R)-6-[(5-methylpyrazin-2-yl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 118876849
[2-(5-methyl-1,2-oxazol-3-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 126745550
N-cyclopropyl-5-methoxypyridin-2-amine
CID 106503930
N-(azetidin-3-yl)-5-methoxypyridin-2-amine
CID 106504454
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
1-N-(5-methoxy-2-pyridinyl)cyclobutane-1,3-diamine
CID 106504373
methyl 5-[[2-[6-(triazol-2-yl)cyclohexa-2,4-diene-1-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]amino]pyrazine-2-carboxylate
CID 170242347
N-[2-(4-ethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602098
[2-(3-fluoro-2-pyridinyl)-6-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 126745574
[3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 130231661
(2-pyridin-4-ylphenyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118876780

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 150357745) is 6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid is COc1ccc(NC2CC3CC2N(C(=O)O)C3)nc1.
What is the InChIKey of 6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is GVBYRNDLDJHWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-9-2-3-12(14-6-9)15-10-4-8-5-11(10)16(7-8)13(17)18/h2-3,6,8,10-11H,4-5,7H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 150357745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).