4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid

C22H18N4O4 — CID 166192121

IUPAC4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid
SMILESCCCc1noc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(C(=O)O)cc3)c12
InChIInChI=1S/C22H18N4O4/c1-2-4-17-19-16(20(27)24-15-8-6-13(7-9-15)22(28)29)11-18(25-21(19)30-26-17)14-5-3-10-23-12-14/h3,5-12H,2,4H2,1H3,(H,24,27)(H,28,29)
InChIKeyDDMMFYNEOAWEIV-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.19
Rot. Bonds6

About 4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid

4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid (PubChem CID 166192121) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid
PubChem CID166192121
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid
SMILESCCCc1noc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(C(=O)O)cc3)c12
InChIInChI=1S/C22H18N4O4/c1-2-4-17-19-16(20(27)24-15-8-6-13(7-9-15)22(28)29)11-18(25-21(19)30-26-17)14-5-3-10-23-12-14/h3,5-12H,2,4H2,1H3,(H,24,27)(H,28,29)
InChIKeyDDMMFYNEOAWEIV-UHFFFAOYSA-N
XLogP4.19
TPSA118.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic 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 4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid (CID 166192121) is 4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid is CCCc1noc2nc(-c3cccnc3)cc(C(=O)Nc3ccc(C(=O)O)cc3)c12.
What is the InChIKey of 4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid?
The InChIKey is DDMMFYNEOAWEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-2-4-17-19-16(20(27)24-15-8-6-13(7-9-15)22(28)29)11-18(25-21(19)30-26-17)14-5-3-10-23-12-14/h3,5-12H,2,4H2,1H3,(H,24,27)(H,28,29).
What are the key properties of 4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid?
4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid has a molecular weight of 402.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propyl-6-pyridin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 166192121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).