6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid

C18H19ClN2O4 — CID 160630166

IUPAC6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid
SMILESCO[C@@H]1CCN(c2ccc(-c3cc(=O)c(C(=O)O)cn3C)cc2Cl)C1
InChIInChI=1S/C18H19ClN2O4/c1-20-10-13(18(23)24)17(22)8-16(20)11-3-4-15(14(19)7-11)21-6-5-12(9-21)25-2/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,23,24)/t12-/m1/s1
InChIKeyRHUYMJUAFUSODA-GFCCVEGCSA-N
MW362.81 g/mol
LogP2.63
Rot. Bonds4

About 6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid

6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 160630166) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID160630166
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid
SMILESCO[C@@H]1CCN(c2ccc(-c3cc(=O)c(C(=O)O)cn3C)cc2Cl)C1
InChIInChI=1S/C18H19ClN2O4/c1-20-10-13(18(23)24)17(22)8-16(20)11-3-4-15(14(19)7-11)21-6-5-12(9-21)25-2/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,23,24)/t12-/m1/s1
InChIKeyRHUYMJUAFUSODA-GFCCVEGCSA-N
XLogP2.63
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-bromo-4-pyrrolidin-1-ylphenyl)-1-methyl-4-oxopyridine-3-carboxylic acid
CID 161129265
6-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-oxopyran-3-carboxylic acid
CID 146312832
6-[3-cyano-4-(3-methoxypyrrolidin-1-yl)phenyl]-1-[2-(3-methylpyrrolidin-1-yl)-1,3-benzoxazol-6-yl]-4-oxopyridine-3-carboxylic acid
CID 167277624
6-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-4-oxo-1-[2-(3-propan-2-yloxyazetidin-1-yl)-1,3-benzothiazol-6-yl]pyridine-3-carboxylic acid
CID 146312836
6-[3-fluoro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxo-1-[2-(3-propan-2-yloxyazetidin-1-yl)-1,3-benzothiazol-6-yl]pyridine-3-carboxylic acid
CID 142441532
1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-1,3-benzoxazol-6-yl]-6-[4-[(3R)-3-methoxypyrrolidin-1-yl]-3-(trifluoromethyl)phenyl]-4-oxopyridine-3-carboxylic acid
CID 166541021
2-amino-4-fluoro-5-(3-methoxypyrrolidin-1-yl)benzoic acid
CID 103537163
1-[2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-benzoxazol-6-yl]-4-oxo-6-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxylic acid
CID 166541010
(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 63370825
3-amino-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 103530522
ethyl 6-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-4-oxopyran-3-carboxylate
CID 150761284
1-[2-(3-methoxypyrrolidin-1-yl)-5-nitrophenyl]ethanone
CID 103534380

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid (CID 160630166) is 6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid is CO[C@@H]1CCN(c2ccc(-c3cc(=O)c(C(=O)O)cn3C)cc2Cl)C1.
What is the InChIKey of 6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is RHUYMJUAFUSODA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-20-10-13(18(23)24)17(22)8-16(20)11-3-4-15(14(19)7-11)21-6-5-12(9-21)25-2/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,23,24)/t12-/m1/s1.
What are the key properties of 6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid?
6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 362.81 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 160630166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).