[3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid

C13H10N4O3 — CID 129031933

IUPAC[3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(-n2c(=O)[nH]c3cnccc32)c1
InChIInChI=1S/C13H10N4O3/c18-12-16-10-7-14-5-4-11(10)17(12)9-3-1-2-8(6-9)15-13(19)20/h1-7,15H,(H,16,18)(H,19,20)
InChIKeyOCSUDRPNIGZNPG-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.80
Rot. Bonds2

About [3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid

[3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid (PubChem CID 129031933) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is [3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid
PubChem CID129031933
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name[3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(-n2c(=O)[nH]c3cnccc32)c1
InChIInChI=1S/C13H10N4O3/c18-12-16-10-7-14-5-4-11(10)17(12)9-3-1-2-8(6-9)15-13(19)20/h1-7,15H,(H,16,18)(H,19,20)
InChIKeyOCSUDRPNIGZNPG-UHFFFAOYSA-N
XLogP1.80
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid?
The IUPAC name of [3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid (CID 129031933) is [3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid.
What is the SMILES notation for [3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid?
The canonical SMILES for [3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid is O=C(O)Nc1cccc(-n2c(=O)[nH]c3cnccc32)c1.
What is the InChIKey of [3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid?
The InChIKey is OCSUDRPNIGZNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-12-16-10-7-14-5-4-11(10)17(12)9-3-1-2-8(6-9)15-13(19)20/h1-7,15H,(H,16,18)(H,19,20).
What are the key properties of [3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid?
[3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid has a molecular weight of 270.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]carbamic acid is sourced from PubChem (CID 129031933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).