N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

C17H15FN4O2 — CID 25162431

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1cn2ccccc2n1
InChIInChI=1S/C17H15FN4O2/c1-21(11-16(23)19-13-6-4-5-12(18)9-13)17(24)14-10-22-8-3-2-7-15(22)20-14/h2-10H,11H2,1H3,(H,19,23)
InChIKeyKATNBNXITLJQKK-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25162431) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25162431
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1cn2ccccc2n1
InChIInChI=1S/C17H15FN4O2/c1-21(11-16(23)19-13-6-4-5-12(18)9-13)17(24)14-10-22-8-3-2-7-15(22)20-14/h2-10H,11H2,1H3,(H,19,23)
InChIKeyKATNBNXITLJQKK-UHFFFAOYSA-N
XLogP2.18
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 25162431) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cn2ccccc2n1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KATNBNXITLJQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-21(11-16(23)19-13-6-4-5-12(18)9-13)17(24)14-10-22-8-3-2-7-15(22)20-14/h2-10H,11H2,1H3,(H,19,23).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25162431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).