N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide

C16H12F2N4O2 — CID 17393643

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cn2ccccc2n1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F2N4O2/c17-11-5-4-10(7-12(11)18)20-15(23)8-19-16(24)13-9-22-6-2-1-3-14(22)21-13/h1-7,9H,8H2,(H,19,24)(H,20,23)
InChIKeyYAHWZYDQVSGFSO-UHFFFAOYSA-N
MW330.29 g/mol
LogP1.98
Rot. Bonds4

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 17393643) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID17393643
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cn2ccccc2n1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F2N4O2/c17-11-5-4-10(7-12(11)18)20-15(23)8-19-16(24)13-9-22-6-2-1-3-14(22)21-13/h1-7,9H,8H2,(H,19,24)(H,20,23)
InChIKeyYAHWZYDQVSGFSO-UHFFFAOYSA-N
XLogP1.98
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 17393643) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(CNC(=O)c1cn2ccccc2n1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is YAHWZYDQVSGFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-11-5-4-10(7-12(11)18)20-15(23)8-19-16(24)13-9-22-6-2-1-3-14(22)21-13/h1-7,9H,8H2,(H,19,24)(H,20,23).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 17393643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).