2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

C14H16N4O2 — CID 70709415

IUPAC2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESNCc1ccccc1-c1nc2c([nH]1)CCNC2C(=O)O
InChIInChI=1S/C14H16N4O2/c15-7-8-3-1-2-4-9(8)13-17-10-5-6-16-12(14(19)20)11(10)18-13/h1-4,12,16H,5-7,15H2,(H,17,18)(H,19,20)
InChIKeyVAROLTUSJHUZCM-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.81
Rot. Bonds3

About 2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 70709415) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID70709415
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESNCc1ccccc1-c1nc2c([nH]1)CCNC2C(=O)O
InChIInChI=1S/C14H16N4O2/c15-7-8-3-1-2-4-9(8)13-17-10-5-6-16-12(14(19)20)11(10)18-13/h1-4,12,16H,5-7,15H2,(H,17,18)(H,19,20)
InChIKeyVAROLTUSJHUZCM-UHFFFAOYSA-N
XLogP0.81
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (CID 70709415) is 2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is NCc1ccccc1-c1nc2c([nH]1)CCNC2C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is VAROLTUSJHUZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-7-8-3-1-2-4-9(8)13-17-10-5-6-16-12(14(19)20)11(10)18-13/h1-4,12,16H,5-7,15H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 70709415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).