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

C13H19N5O3 — CID 79351351

IUPAC5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)NC1CCNCC1
InChIInChI=1S/C13H19N5O3/c19-12(20)11-5-9-10(16-7-15-9)6-18(11)13(21)17-8-1-3-14-4-2-8/h7-8,11,14H,1-6H2,(H,15,16)(H,17,21)(H,19,20)
InChIKeyZOKILPWDRHDDPS-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.32
Rot. Bonds2

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

5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79351351) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79351351
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)NC1CCNCC1
InChIInChI=1S/C13H19N5O3/c19-12(20)11-5-9-10(16-7-15-9)6-18(11)13(21)17-8-1-3-14-4-2-8/h7-8,11,14H,1-6H2,(H,15,16)(H,17,21)(H,19,20)
InChIKeyZOKILPWDRHDDPS-UHFFFAOYSA-N
XLogP-0.32
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-acetamidoethylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351332
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-[(2S)-pyrrolidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79342623
5-(2-methylpentan-3-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351490
5-(3-methylpentan-2-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351488
5-[(2-ethoxy-2-oxoethyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351343
5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79351341
5-[(4-methoxyphenyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403645
5-(piperidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343107
5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344032
5-but-3-enoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344230

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79351351) is 5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2nc[nH]c2CN1C(=O)NC1CCNCC1.
What is the InChIKey of 5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is ZOKILPWDRHDDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c19-12(20)11-5-9-10(16-7-15-9)6-18(11)13(21)17-8-1-3-14-4-2-8/h7-8,11,14H,1-6H2,(H,15,16)(H,17,21)(H,19,20).
What are the key properties of 5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of -0.32, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79351351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).