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

C12H16N4O5 — CID 79351343

IUPAC5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCOC(=O)CNC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C12H16N4O5/c1-2-21-10(17)4-13-12(20)16-5-8-7(14-6-15-8)3-9(16)11(18)19/h6,9H,2-5H2,1H3,(H,13,20)(H,14,15)(H,18,19)
InChIKeyPLSWRUDQFDKEFG-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.51
Rot. Bonds4

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

5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79351343) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79351343
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCOC(=O)CNC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C12H16N4O5/c1-2-21-10(17)4-13-12(20)16-5-8-7(14-6-15-8)3-9(16)11(18)19/h6,9H,2-5H2,1H3,(H,13,20)(H,14,15)(H,18,19)
InChIKeyPLSWRUDQFDKEFG-UHFFFAOYSA-N
XLogP-0.51
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79351343) is 5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CCOC(=O)CNC(=O)N1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is PLSWRUDQFDKEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5/c1-2-21-10(17)4-13-12(20)16-5-8-7(14-6-15-8)3-9(16)11(18)19/h6,9H,2-5H2,1H3,(H,13,20)(H,14,15)(H,18,19).
What are the key properties of 5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 296.28 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79351343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).