2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide

C19H21ClFN3O2 — CID 69071664

IUPAC2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide
SMILESCN1CCC(C)(Oc2cccc(NC(=O)c3ccc(F)cc3Cl)n2)CC1
InChIInChI=1S/C19H21ClFN3O2/c1-19(8-10-24(2)11-9-19)26-17-5-3-4-16(22-17)23-18(25)14-7-6-13(21)12-15(14)20/h3-7,12H,8-11H2,1-2H3,(H,22,23,25)
InChIKeyWROKUWLQBXBCEX-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.99
Rot. Bonds4

About 2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide

2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide (PubChem CID 69071664) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide
PubChem CID69071664
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide
SMILESCN1CCC(C)(Oc2cccc(NC(=O)c3ccc(F)cc3Cl)n2)CC1
InChIInChI=1S/C19H21ClFN3O2/c1-19(8-10-24(2)11-9-19)26-17-5-3-4-16(22-17)23-18(25)14-7-6-13(21)12-15(14)20/h3-7,12H,8-11H2,1-2H3,(H,22,23,25)
InChIKeyWROKUWLQBXBCEX-UHFFFAOYSA-N
XLogP3.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide (CID 69071664) is 2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide is CN1CCC(C)(Oc2cccc(NC(=O)c3ccc(F)cc3Cl)n2)CC1.
What is the InChIKey of 2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide?
The InChIKey is WROKUWLQBXBCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-19(8-10-24(2)11-9-19)26-17-5-3-4-16(22-17)23-18(25)14-7-6-13(21)12-15(14)20/h3-7,12H,8-11H2,1-2H3,(H,22,23,25).
What are the key properties of 2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide?
2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide has a molecular weight of 377.85 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(1,4-dimethylpiperidin-4-yl)oxy-2-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 69071664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).