5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C13H19N3O4 — CID 103018952

IUPAC5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOC(C)(C)CC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C13H19N3O4/c1-13(2,20-3)5-11(17)16-6-9-8(14-7-15-9)4-10(16)12(18)19/h7,10H,4-6H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyAQRWUHNDBWQQCC-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.56
Rot. Bonds4

About 5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 103018952) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID103018952
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOC(C)(C)CC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C13H19N3O4/c1-13(2,20-3)5-11(17)16-6-9-8(14-7-15-9)4-10(16)12(18)19/h7,10H,4-6H2,1-3H3,(H,14,15)(H,18,19)
InChIKeyAQRWUHNDBWQQCC-UHFFFAOYSA-N
XLogP0.56
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79342868
5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343333
5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344619
5-[2-(2-methoxyethylsulfanyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344782
5-(3-propoxypropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343332
5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344032
5-but-3-enoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344230
5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 71162272
5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351343
3,3-dimethyl-5-oxo-5-[6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid
CID 74507818
5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343558
5-(2-cyclopent-2-en-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344960

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 103018952) is 5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is COC(C)(C)CC(=O)N1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is AQRWUHNDBWQQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(2,20-3)5-11(17)16-6-9-8(14-7-15-9)4-10(16)12(18)19/h7,10H,4-6H2,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 103018952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).