N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide

C16H17FN4O2 — CID 74248478

IUPACN-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2nc(-c3cccc(F)c3)[nH]c2C1
InChIInChI=1S/C16H17FN4O2/c1-10(22)18-8-15(23)21-6-5-13-14(9-21)20-16(19-13)11-3-2-4-12(17)7-11/h2-4,7H,5-6,8-9H2,1H3,(H,18,22)(H,19,20)
InChIKeyFRNLMJQRLUXMDT-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.24
Rot. Bonds3

About N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide

N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide (PubChem CID 74248478) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide
PubChem CID74248478
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2nc(-c3cccc(F)c3)[nH]c2C1
InChIInChI=1S/C16H17FN4O2/c1-10(22)18-8-15(23)21-6-5-13-14(9-21)20-16(19-13)11-3-2-4-12(17)7-11/h2-4,7H,5-6,8-9H2,1H3,(H,18,22)(H,19,20)
InChIKeyFRNLMJQRLUXMDT-UHFFFAOYSA-N
XLogP1.24
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide (CID 74248478) is N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCc2nc(-c3cccc(F)c3)[nH]c2C1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The InChIKey is FRNLMJQRLUXMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-10(22)18-8-15(23)21-6-5-13-14(9-21)20-16(19-13)11-3-2-4-12(17)7-11/h2-4,7H,5-6,8-9H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide?
N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide has a molecular weight of 316.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 74248478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).