2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid

C14H20N6O3 — CID 22729759

IUPAC2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)NCC(=O)O)c2c1C
InChIInChI=1S/C14H20N6O3/c1-7-8(2)18-13(15)11-12(7)20(9(3)19-11)5-4-16-14(23)17-6-10(21)22/h4-6H2,1-3H3,(H2,15,18)(H,21,22)(H2,16,17,23)
InChIKeyQJUSBZGGFCSYKN-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.32
Rot. Bonds5

About 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid

2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid (PubChem CID 22729759) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid
PubChem CID22729759
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC Name2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)NCC(=O)O)c2c1C
InChIInChI=1S/C14H20N6O3/c1-7-8(2)18-13(15)11-12(7)20(9(3)19-11)5-4-16-14(23)17-6-10(21)22/h4-6H2,1-3H3,(H2,15,18)(H,21,22)(H2,16,17,23)
InChIKeyQJUSBZGGFCSYKN-UHFFFAOYSA-N
XLogP0.32
TPSA135.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid?
The IUPAC name of 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid (CID 22729759) is 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid is Cc1nc(N)c2nc(C)n(CCNC(=O)NCC(=O)O)c2c1C.
What is the InChIKey of 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid?
The InChIKey is QJUSBZGGFCSYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-7-8(2)18-13(15)11-12(7)20(9(3)19-11)5-4-16-14(23)17-6-10(21)22/h4-6H2,1-3H3,(H2,15,18)(H,21,22)(H2,16,17,23).
What are the key properties of 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid?
2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid is sourced from PubChem (CID 22729759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).