N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H20N4O4 — CID 119618461

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cc4c(cc3N)OCO4)c12
InChIInChI=1S/C20H20N4O4/c1-9(2)18-17-11(5-13(10-3-4-10)23-20(17)28-24-18)19(25)22-14-7-16-15(6-12(14)21)26-8-27-16/h5-7,9-10H,3-4,8,21H2,1-2H3,(H,22,25)
InChIKeyCQKKMKRVQQAVPZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.79
Rot. Bonds4

About N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119618461) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119618461
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cc4c(cc3N)OCO4)c12
InChIInChI=1S/C20H20N4O4/c1-9(2)18-17-11(5-13(10-3-4-10)23-20(17)28-24-18)19(25)22-14-7-16-15(6-12(14)21)26-8-27-16/h5-7,9-10H,3-4,8,21H2,1-2H3,(H,22,25)
InChIKeyCQKKMKRVQQAVPZ-UHFFFAOYSA-N
XLogP3.79
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119618461) is N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cc4c(cc3N)OCO4)c12.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CQKKMKRVQQAVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-9(2)18-17-11(5-13(10-3-4-10)23-20(17)28-24-18)19(25)22-14-7-16-15(6-12(14)21)26-8-27-16/h5-7,9-10H,3-4,8,21H2,1-2H3,(H,22,25).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119618461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).