N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C18H22FN3O2 — CID 71982058

IUPACN-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1nc(C(=O)N(C)CCOc2cccc(F)c2)c2n1CCCC2
InChIInChI=1S/C18H22FN3O2/c1-13-20-17(16-8-3-4-9-22(13)16)18(23)21(2)10-11-24-15-7-5-6-14(19)12-15/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyQVXBQYKQICHPPQ-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 71982058) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID71982058
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1nc(C(=O)N(C)CCOc2cccc(F)c2)c2n1CCCC2
InChIInChI=1S/C18H22FN3O2/c1-13-20-17(16-8-3-4-9-22(13)16)18(23)21(2)10-11-24-15-7-5-6-14(19)12-15/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyQVXBQYKQICHPPQ-UHFFFAOYSA-N
XLogP2.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide with MolForge

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Related Compounds

3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741689
N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 20904946
N-(2-ethoxyphenyl)-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 20904997
N-[2-(3-fluorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 61063132
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472721
2-(1-aminocyclopentyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 64679568
1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115448098
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide
CID 60946637
N-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 20905003
2-(cyclopropylamino)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 54872660

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 71982058) is N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is Cc1nc(C(=O)N(C)CCOc2cccc(F)c2)c2n1CCCC2.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is QVXBQYKQICHPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-13-20-17(16-8-3-4-9-22(13)16)18(23)21(2)10-11-24-15-7-5-6-14(19)12-15/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 71982058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).