N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C17H19F2N3O — CID 119051303

IUPACN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C17H19F2N3O/c1-11(13-9-12(18)6-7-14(13)19)21(2)17(23)15-10-22-8-4-3-5-16(22)20-15/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyWGSOLMSNNHMJBT-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.33
Rot. Bonds3

About N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 119051303) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID119051303
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C17H19F2N3O/c1-11(13-9-12(18)6-7-14(13)19)21(2)17(23)15-10-22-8-4-3-5-16(22)20-15/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyWGSOLMSNNHMJBT-UHFFFAOYSA-N
XLogP3.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 119051303) is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is CC(c1cc(F)ccc1F)N(C)C(=O)c1cn2c(n1)CCCC2.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is WGSOLMSNNHMJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-11(13-9-12(18)6-7-14(13)19)21(2)17(23)15-10-22-8-4-3-5-16(22)20-15/h6-7,9-11H,3-5,8H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 119051303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).