5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C11H16N4O3 — CID 79344032

IUPAC5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCNCC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-2-12-4-10(16)15-5-8-7(13-6-14-8)3-9(15)11(17)18/h6,9,12H,2-5H2,1H3,(H,13,14)(H,17,18)
InChIKeyVAIJHOBXXXUHGB-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.64
Rot. Bonds4

About 5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79344032) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79344032
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCNCC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-2-12-4-10(16)15-5-8-7(13-6-14-8)3-9(15)11(17)18/h6,9,12H,2-5H2,1H3,(H,13,14)(H,17,18)
InChIKeyVAIJHOBXXXUHGB-UHFFFAOYSA-N
XLogP-0.64
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344619
5-(3-propoxypropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343332
5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351343
5-but-3-enoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344230
5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 103018952
5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 71162272
5-(2-cyclopent-2-en-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344960
5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343333
5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79342868
5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351332
5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351488
5-[2-(2-methoxyethylsulfanyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344782

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79344032) is 5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CCNCC(=O)N1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is VAIJHOBXXXUHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-12-4-10(16)15-5-8-7(13-6-14-8)3-9(15)11(17)18/h6,9,12H,2-5H2,1H3,(H,13,14)(H,17,18).
What are the key properties of 5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79344032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).