6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid

C20H18N6O3 — CID 58299691

IUPAC6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ncc3c4cc[nH]c(=O)c4n(C4CCCC4)c3n2)nc1
InChIInChI=1S/C20H18N6O3/c27-18-16-13(7-8-21-18)14-10-23-20(24-15-6-5-11(9-22-15)19(28)29)25-17(14)26(16)12-3-1-2-4-12/h5-10,12H,1-4H2,(H,21,27)(H,28,29)(H,22,23,24,25)
InChIKeyFWKJOFFEPRZHEJ-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.22
Rot. Bonds4

About 6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid

6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid (PubChem CID 58299691) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid
PubChem CID58299691
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ncc3c4cc[nH]c(=O)c4n(C4CCCC4)c3n2)nc1
InChIInChI=1S/C20H18N6O3/c27-18-16-13(7-8-21-18)14-10-23-20(24-15-6-5-11(9-22-15)19(28)29)25-17(14)26(16)12-3-1-2-4-12/h5-10,12H,1-4H2,(H,21,27)(H,28,29)(H,22,23,24,25)
InChIKeyFWKJOFFEPRZHEJ-UHFFFAOYSA-N
XLogP3.22
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid (CID 58299691) is 6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(Nc2ncc3c4cc[nH]c(=O)c4n(C4CCCC4)c3n2)nc1.
What is the InChIKey of 6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is FWKJOFFEPRZHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c27-18-16-13(7-8-21-18)14-10-23-20(24-15-6-5-11(9-22-15)19(28)29)25-17(14)26(16)12-3-1-2-4-12/h5-10,12H,1-4H2,(H,21,27)(H,28,29)(H,22,23,24,25).
What are the key properties of 6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid?
6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 390.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 58299691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).