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7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide

C18H16N4O3 — CID 17467644

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)nc2c1
InChIInChI=1S/C18H16N4O3/c1-10-5-6-22-9-14(20-16(22)7-10)18(24)19-12-3-4-15-13(8-12)21-17(23)11(2)25-15/h3-9,11H,1-2H3,(H,19,24)(H,21,23)
InChIKeyPOTRANVBAUAVQG-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.61
Rot. Bonds2

About 7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide

7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 17467644) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID17467644
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)nc2c1
InChIInChI=1S/C18H16N4O3/c1-10-5-6-22-9-14(20-16(22)7-10)18(24)19-12-3-4-15-13(8-12)21-17(23)11(2)25-15/h3-9,11H,1-2H3,(H,19,24)(H,21,23)
InChIKeyPOTRANVBAUAVQG-UHFFFAOYSA-N
XLogP2.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 17467644) is 7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide is Cc1ccn2cc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)nc2c1.
What is the InChIKey of 7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is POTRANVBAUAVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-10-5-6-22-9-14(20-16(22)7-10)18(24)19-12-3-4-15-13(8-12)21-17(23)11(2)25-15/h3-9,11H,1-2H3,(H,19,24)(H,21,23).
What are the key properties of 7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide?
7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 17467644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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