N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C18H20N4O3 — CID 86772537

IUPACN-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1cn2c(n1)CCC(NC(=O)CN1C(=O)COc3ccccc31)C2
InChIInChI=1S/C18H20N4O3/c1-12-8-21-9-13(6-7-16(21)19-12)20-17(23)10-22-14-4-2-3-5-15(14)25-11-18(22)24/h2-5,8,13H,6-7,9-11H2,1H3,(H,20,23)
InChIKeyIKIPYLADKJQDDU-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.05
Rot. Bonds3

About N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 86772537) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID86772537
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1cn2c(n1)CCC(NC(=O)CN1C(=O)COc3ccccc31)C2
InChIInChI=1S/C18H20N4O3/c1-12-8-21-9-13(6-7-16(21)19-12)20-17(23)10-22-14-4-2-3-5-15(14)25-11-18(22)24/h2-5,8,13H,6-7,9-11H2,1H3,(H,20,23)
InChIKeyIKIPYLADKJQDDU-UHFFFAOYSA-N
XLogP1.05
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 86772537) is N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is Cc1cn2c(n1)CCC(NC(=O)CN1C(=O)COc3ccccc31)C2.
What is the InChIKey of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is IKIPYLADKJQDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-8-21-9-13(6-7-16(21)19-12)20-17(23)10-22-14-4-2-3-5-15(14)25-11-18(22)24/h2-5,8,13H,6-7,9-11H2,1H3,(H,20,23).
What are the key properties of N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 86772537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).