4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide

C16H21FN6O — CID 128968436

IUPAC4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(F)cn2)CC1c1nccn1C
InChIInChI=1S/C16H21FN6O/c1-3-22-8-9-23(11-13(22)15-18-6-7-21(15)2)16(24)20-14-5-4-12(17)10-19-14/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,19,20,24)
InChIKeyARVYLIBIKDYNDA-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.86
Rot. Bonds3

About 4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide

4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide (PubChem CID 128968436) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
PubChem CID128968436
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(F)cn2)CC1c1nccn1C
InChIInChI=1S/C16H21FN6O/c1-3-22-8-9-23(11-13(22)15-18-6-7-21(15)2)16(24)20-14-5-4-12(17)10-19-14/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,19,20,24)
InChIKeyARVYLIBIKDYNDA-UHFFFAOYSA-N
XLogP1.86
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide (CID 128968436) is 4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide is CCN1CCN(C(=O)Nc2ccc(F)cn2)CC1c1nccn1C.
What is the InChIKey of 4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is ARVYLIBIKDYNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-3-22-8-9-23(11-13(22)15-18-6-7-21(15)2)16(24)20-14-5-4-12(17)10-19-14/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,19,20,24).
What are the key properties of 4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide?
4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 128968436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).