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

C14H22N4O3 — CID 79351490

IUPAC5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCC(NC(=O)N1Cc2[nH]cnc2CC1C(=O)O)C(C)C
InChIInChI=1S/C14H22N4O3/c1-4-9(8(2)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)
InChIKeyJYTXGSIIIGTMOB-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.37
Rot. Bonds4

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

5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79351490) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79351490
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCC(NC(=O)N1Cc2[nH]cnc2CC1C(=O)O)C(C)C
InChIInChI=1S/C14H22N4O3/c1-4-9(8(2)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)
InChIKeyJYTXGSIIIGTMOB-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

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

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Related Compounds

5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351488
5-(1-cyclopropylpropan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351529
5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351332
5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343333
5-[2-(aminomethyl)-3-methylbutanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343788
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-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343558
5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 71162272
5-(2-bromoprop-2-enylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 113465159
5-[(4-methoxyphenyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403645
5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344619

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79351490) is 5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CCC(NC(=O)N1Cc2[nH]cnc2CC1C(=O)O)C(C)C.
What is the InChIKey of 5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is JYTXGSIIIGTMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-9(8(2)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-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(2-methylpentan-3-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-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79351490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).