2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride

C18H20Cl2FN3O2 — CID 69063392

IUPAC2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
SMILESCN1CCC(Oc2cccc(NC(=O)c3ccc(F)cc3Cl)n2)CC1.[Cl-].[H+]
InChIInChI=1S/C18H19ClFN3O2.ClH/c1-23-9-7-13(8-10-23)25-17-4-2-3-16(21-17)22-18(24)14-6-5-12(20)11-15(14)19;/h2-6,11,13H,7-10H2,1H3,(H,21,22,24);1H
InChIKeyXTYLBNIRRCEADS-UHFFFAOYSA-N
MW400.28 g/mol
LogP0.72
Rot. Bonds4

About 2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride

2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride (PubChem CID 69063392) has the molecular formula C18H20Cl2FN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
PubChem CID69063392
Molecular FormulaC18H20Cl2FN3O2
Molecular Weight400.28 g/mol
Exact Mass399.09
IUPAC Name2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
SMILESCN1CCC(Oc2cccc(NC(=O)c3ccc(F)cc3Cl)n2)CC1.[Cl-].[H+]
InChIInChI=1S/C18H19ClFN3O2.ClH/c1-23-9-7-13(8-10-23)25-17-4-2-3-16(21-17)22-18(24)14-6-5-12(20)11-15(14)19;/h2-6,11,13H,7-10H2,1H3,(H,21,22,24);1H
InChIKeyXTYLBNIRRCEADS-UHFFFAOYSA-N
XLogP0.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 88581631
CID 88581631
2,4-difluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydrochloride
CID 69074371
N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide
CID 163786051
2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide
CID 58997345
2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride
CID 142780032
2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride
CID 69074598
N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide
CID 58997299
N-methyl-6-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 45097725
2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
CID 69075859
2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide
CID 58997284
2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)sulfanyl-2-(trifluoromethyl)phenyl]benzamide
CID 69071911
3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide
CID 175281836

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride?
The IUPAC name of 2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride (CID 69063392) is 2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride.
What is the SMILES notation for 2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride?
The canonical SMILES for 2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride is CN1CCC(Oc2cccc(NC(=O)c3ccc(F)cc3Cl)n2)CC1.[Cl-].[H+].
What is the InChIKey of 2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride?
The InChIKey is XTYLBNIRRCEADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2.ClH/c1-23-9-7-13(8-10-23)25-17-4-2-3-16(21-17)22-18(24)14-6-5-12(20)11-15(14)19;/h2-6,11,13H,7-10H2,1H3,(H,21,22,24);1H.
What are the key properties of 2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride?
2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride has a molecular weight of 400.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride is sourced from PubChem (CID 69063392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).