2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide

C26H29FN4O3 — CID 29151051

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)N(C)CCO)c(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C26H29FN4O3/c1-29(17-18-32)26(33)20-11-12-22(19-7-3-6-10-24(19)34-2)28-25(20)31-15-13-30(14-16-31)23-9-5-4-8-21(23)27/h3-12,32H,13-18H2,1-2H3
InChIKeyQYJBDOZFYAJNBJ-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.29
Rot. Bonds7

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide (PubChem CID 29151051) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide
PubChem CID29151051
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)N(C)CCO)c(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C26H29FN4O3/c1-29(17-18-32)26(33)20-11-12-22(19-7-3-6-10-24(19)34-2)28-25(20)31-15-13-30(14-16-31)23-9-5-4-8-21(23)27/h3-12,32H,13-18H2,1-2H3
InChIKeyQYJBDOZFYAJNBJ-UHFFFAOYSA-N
XLogP3.29
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide 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 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide (CID 29151051) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide is COc1ccccc1-c1ccc(C(=O)N(C)CCO)c(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is QYJBDOZFYAJNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-29(17-18-32)26(33)20-11-12-22(19-7-3-6-10-24(19)34-2)28-25(20)31-15-13-30(14-16-31)23-9-5-4-8-21(23)27/h3-12,32H,13-18H2,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 29151051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).