N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

C21H27FN4O2 — CID 18663132

IUPACN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)c(OC)nc1C
InChIInChI=1S/C21H27FN4O2/c1-4-16-13-18(21(28-3)23-15(16)2)24-20(27)14-25-9-11-26(12-10-25)19-8-6-5-7-17(19)22/h5-8,13H,4,9-12,14H2,1-3H3,(H,24,27)
InChIKeyQOEWGRRYJBCIFH-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.86
Rot. Bonds6

About N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide

N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 18663132) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID18663132
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)c(OC)nc1C
InChIInChI=1S/C21H27FN4O2/c1-4-16-13-18(21(28-3)23-15(16)2)24-20(27)14-25-9-11-26(12-10-25)19-8-6-5-7-17(19)22/h5-8,13H,4,9-12,14H2,1-3H3,(H,24,27)
InChIKeyQOEWGRRYJBCIFH-UHFFFAOYSA-N
XLogP2.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (CID 18663132) is N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is CCc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)c(OC)nc1C.
What is the InChIKey of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is QOEWGRRYJBCIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-4-16-13-18(21(28-3)23-15(16)2)24-20(27)14-25-9-11-26(12-10-25)19-8-6-5-7-17(19)22/h5-8,13H,4,9-12,14H2,1-3H3,(H,24,27).
What are the key properties of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18663132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).