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

C14H22N4O3 — CID 79351488

IUPAC5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCC(C)C(C)NC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-4-8(2)9(3)17-14(21)18-6-11-10(15-7-16-11)5-12(18)13(19)20/h7-9,12H,4-6H2,1-3H3,(H,15,16)(H,17,21)(H,19,20)
InChIKeyURLNBWHARTZSOS-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.37
Rot. Bonds4

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

5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79351488) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79351488
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCC(C)C(C)NC(=O)N1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-4-8(2)9(3)17-14(21)18-6-11-10(15-7-16-11)5-12(18)13(19)20/h7-9,12H,4-6H2,1-3H3,(H,15,16)(H,17,21)(H,19,20)
InChIKeyURLNBWHARTZSOS-UHFFFAOYSA-N
XLogP1.37
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79351488) is 5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CCC(C)C(C)NC(=O)N1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is URLNBWHARTZSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-8(2)9(3)17-14(21)18-6-11-10(15-7-16-11)5-12(18)13(19)20/h7-9,12H,4-6H2,1-3H3,(H,15,16)(H,17,21)(H,19,20).
What are the key properties of 5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79351488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).