N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

C21H15N5O3 — CID 176506543

IUPACN-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cnc4c(c3)ncn4-c3ccccc3)ccc2N1
InChIInChI=1S/C21H15N5O3/c27-19-11-29-18-9-14(6-7-16(18)25-19)24-21(28)13-8-17-20(22-10-13)26(12-23-17)15-4-2-1-3-5-15/h1-10,12H,11H2,(H,24,28)(H,25,27)
InChIKeyYPKKSKMXFXJYLA-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.00
Rot. Bonds3

About N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176506543) has the molecular formula C21H15N5O3 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176506543
Molecular FormulaC21H15N5O3
Molecular Weight385.38 g/mol
Exact Mass385.12
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cnc4c(c3)ncn4-c3ccccc3)ccc2N1
InChIInChI=1S/C21H15N5O3/c27-19-11-29-18-9-14(6-7-16(18)25-19)24-21(28)13-8-17-20(22-10-13)26(12-23-17)15-4-2-1-3-5-15/h1-10,12H,11H2,(H,24,28)(H,25,27)
InChIKeyYPKKSKMXFXJYLA-UHFFFAOYSA-N
XLogP3.00
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (CID 176506543) is N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is O=C1COc2cc(NC(=O)c3cnc4c(c3)ncn4-c3ccccc3)ccc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YPKKSKMXFXJYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3/c27-19-11-29-18-9-14(6-7-16(18)25-19)24-21(28)13-8-17-20(22-10-13)26(12-23-17)15-4-2-1-3-5-15/h1-10,12H,11H2,(H,24,28)(H,25,27).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 385.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176506543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).