6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride

C12H18ClN3O3 — CID 122439083

IUPAC6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride
SMILESCc1nc(N)c(O[C@H]2CNC[C@@H]2C)cc1C(=O)O.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-6-4-14-5-10(6)18-9-3-8(12(16)17)7(2)15-11(9)13;/h3,6,10,14H,4-5H2,1-2H3,(H2,13,15)(H,16,17);1H/t6-,10-;/m0./s1
InChIKeyFNLLFTXTNSGOBC-XIWGLMHNSA-N
MW287.75 g/mol
LogP1.08
Rot. Bonds3

About 6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride

6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride (PubChem CID 122439083) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride
PubChem CID122439083
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride
SMILESCc1nc(N)c(O[C@H]2CNC[C@@H]2C)cc1C(=O)O.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-6-4-14-5-10(6)18-9-3-8(12(16)17)7(2)15-11(9)13;/h3,6,10,14H,4-5H2,1-2H3,(H2,13,15)(H,16,17);1H/t6-,10-;/m0./s1
InChIKeyFNLLFTXTNSGOBC-XIWGLMHNSA-N
XLogP1.08
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

Methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate;hydrochloride
CID 118868288
Methyl 6-amino-5-(4,4-difluoropyrrolidin-3-yl)oxypyridine-3-carboxylate
CID 118868289
(S)-methyl 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)oxy]pyridine-3-carboxylate hydrochloride
CID 118868290
methyl 6-amino-5-[(3S)-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 118868291
6-Amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid
CID 118868326
Methyl 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylate
CID 118882145
6-Amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 122439060
6-Amino-5-[4,4-difluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]oxy-2-methylpyridine-3-carboxylic acid
CID 122439067
6-amino-5-[(3S)-4,4-difluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]oxy-2-methylpyridine-3-carboxylic acid
CID 122439068
methyl 6-amino-5-[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 122449604
Methyl 6-amino-5-[(4,4-difluoro-1-methylpyrrolidin-3-yl)methoxy]pyridine-3-carboxylate
CID 122449607
2-Amino-6-(difluoromethyl)-5-methoxynicotinic acid
CID 119005849

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride (CID 122439083) is 6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride is Cc1nc(N)c(O[C@H]2CNC[C@@H]2C)cc1C(=O)O.Cl.
What is the InChIKey of 6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride?
The InChIKey is FNLLFTXTNSGOBC-XIWGLMHNSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/c1-6-4-14-5-10(6)18-9-3-8(12(16)17)7(2)15-11(9)13;/h3,6,10,14H,4-5H2,1-2H3,(H2,13,15)(H,16,17);1H/t6-,10-;/m0./s1.
What are the key properties of 6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride?
6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-5-[(3R,4S)-4-methylpyrrolidin-3-yl]oxypyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 122439083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).