2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride

C17H20ClFN4O2 — CID 145196100

IUPAC2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(F)ccc1C1CN(c2ncccc2C(N)=O)CCN1.Cl
InChIInChI=1S/C17H19FN4O2.ClH/c1-24-15-9-11(18)4-5-12(15)14-10-22(8-7-20-14)17-13(16(19)23)3-2-6-21-17;/h2-6,9,14,20H,7-8,10H2,1H3,(H2,19,23);1H
InChIKeyQACGLPZNSBNOLI-UHFFFAOYSA-N
MW366.82 g/mol
LogP1.90
Rot. Bonds4

About 2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride

2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride (PubChem CID 145196100) has the molecular formula C17H20ClFN4O2 and a molecular weight of 366.82 g/mol. Its IUPAC name is 2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride
PubChem CID145196100
Molecular FormulaC17H20ClFN4O2
Molecular Weight366.82 g/mol
Exact Mass366.13
IUPAC Name2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(F)ccc1C1CN(c2ncccc2C(N)=O)CCN1.Cl
InChIInChI=1S/C17H19FN4O2.ClH/c1-24-15-9-11(18)4-5-12(15)14-10-22(8-7-20-14)17-13(16(19)23)3-2-6-21-17;/h2-6,9,14,20H,7-8,10H2,1H3,(H2,19,23);1H
InChIKeyQACGLPZNSBNOLI-UHFFFAOYSA-N
XLogP1.90
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride (CID 145196100) is 2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride is COc1cc(F)ccc1C1CN(c2ncccc2C(N)=O)CCN1.Cl.
What is the InChIKey of 2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is QACGLPZNSBNOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2.ClH/c1-24-15-9-11(18)4-5-12(15)14-10-22(8-7-20-14)17-13(16(19)23)3-2-6-21-17;/h2-6,9,14,20H,7-8,10H2,1H3,(H2,19,23);1H.
What are the key properties of 2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride?
2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 366.82 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 145196100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).