5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid

C12H15ClN2O4 — CID 166390972

IUPAC5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCC(COC)NC(=O)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H15ClN2O4/c1-3-8(6-19-2)15-11(16)10-9(13)4-7(5-14-10)12(17)18/h4-5,8H,3,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZNJNQIAENPIGRW-UHFFFAOYSA-N
MW286.71 g/mol
LogP1.59
Rot. Bonds6

About 5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid

5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 166390972) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is 5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID166390972
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCC(COC)NC(=O)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H15ClN2O4/c1-3-8(6-19-2)15-11(16)10-9(13)4-7(5-14-10)12(17)18/h4-5,8H,3,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZNJNQIAENPIGRW-UHFFFAOYSA-N
XLogP1.59
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
CID 82832518
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 114919705
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790
5-chloro-6-hydrazinyl-N-pentan-3-ylpyridine-3-carboxamide
CID 62247358
6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid
CID 60903616
5-hydrazinyl-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 104642834
5-chloro-6-(4-methylpentoxycarbonyl)pyridine-3-carboxylic acid
CID 129137214
3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 93041499
2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]pyrimidine-5-carboxylic acid
CID 167880425
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
CID 23821566
4-hydrazinyl-N-(1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 81249331

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid (CID 166390972) is 5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid is CCC(COC)NC(=O)c1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is ZNJNQIAENPIGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-3-8(6-19-2)15-11(16)10-9(13)4-7(5-14-10)12(17)18/h4-5,8H,3,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 286.71 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 166390972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).