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

C12H17N5O4 — CID 79351332

IUPAC5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(=O)NCCNC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C12H17N5O4/c1-7(18)13-2-3-14-12(21)17-5-9-8(15-6-16-9)4-10(17)11(19)20/h6,10H,2-5H2,1H3,(H,13,18)(H,14,21)(H,15,16)(H,19,20)
InChIKeyAEBIDWNEMARHFZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.93
Rot. Bonds4

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

5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79351332) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79351332
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC Name5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(=O)NCCNC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C12H17N5O4/c1-7(18)13-2-3-14-12(21)17-5-9-8(15-6-16-9)4-10(17)11(19)20/h6,10H,2-5H2,1H3,(H,13,18)(H,14,21)(H,15,16)(H,19,20)
InChIKeyAEBIDWNEMARHFZ-UHFFFAOYSA-N
XLogP-0.93
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79351332) is 5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CC(=O)NCCNC(=O)N1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is AEBIDWNEMARHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-7(18)13-2-3-14-12(21)17-5-9-8(15-6-16-9)4-10(17)11(19)20/h6,10H,2-5H2,1H3,(H,13,18)(H,14,21)(H,15,16)(H,19,20).
What are the key properties of 5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.93, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79351332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).