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

C13H20N4O3 — CID 79342868

IUPAC5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)(N)CCC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C13H20N4O3/c1-13(2,14)4-3-11(18)17-6-9-8(15-7-16-9)5-10(17)12(19)20/h7,10H,3-6,14H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyHMJCDMJNCDLDDT-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.27
Rot. Bonds4

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

5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79342868) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79342868
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)(N)CCC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C13H20N4O3/c1-13(2,14)4-3-11(18)17-6-9-8(15-7-16-9)5-10(17)12(19)20/h7,10H,3-6,14H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyHMJCDMJNCDLDDT-UHFFFAOYSA-N
XLogP0.27
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

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Related Compounds

5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 103018952
5-(3-propoxypropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343332
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-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351343
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-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343558
5-[2-(2-methoxyethylsulfanyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344782
5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 71162272
5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 72912201
5-(azetidine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79342390

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79342868) is 5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CC(C)(N)CCC(=O)N1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is HMJCDMJNCDLDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(2,14)4-3-11(18)17-6-9-8(15-7-16-9)5-10(17)12(19)20/h7,10H,3-6,14H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79342868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).