4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide

C19H19ClFN3O — CID 146420206

IUPAC4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
SMILESCN1CCC(=C(F)c2cccc(NC(=O)c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C19H19ClFN3O/c1-24-11-9-13(10-12-24)18(21)16-3-2-4-17(22-16)23-19(25)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,23,25)
InChIKeySBVPLBRVWOJTCS-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.39
Rot. Bonds3

About 4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide

4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide (PubChem CID 146420206) has the molecular formula C19H19ClFN3O and a molecular weight of 359.83 g/mol. Its IUPAC name is 4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
PubChem CID146420206
Molecular FormulaC19H19ClFN3O
Molecular Weight359.83 g/mol
Exact Mass359.12
IUPAC Name4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
SMILESCN1CCC(=C(F)c2cccc(NC(=O)c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C19H19ClFN3O/c1-24-11-9-13(10-12-24)18(21)16-3-2-4-17(22-16)23-19(25)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,23,25)
InChIKeySBVPLBRVWOJTCS-UHFFFAOYSA-N
XLogP4.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lasmiditan
CID 11610526
Lazucirnon
CID 59534386
Pyridine amide, 13
CID 44236999
(3-Chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-6-(methylamino)pyridin-2-yl)methyl)amino)methyl)piperidin-1-yl)methanone
CID 9802369
[4-[[[6-(Azetidin-1-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 10025854
(3-Chlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10549236
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10670050
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-4-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10694238
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10694239
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10740939
(3-Chloro-4-methylphenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10764513
(3,4-Dichlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10789182

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide (CID 146420206) is 4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide is CN1CCC(=C(F)c2cccc(NC(=O)c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The InChIKey is SBVPLBRVWOJTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O/c1-24-11-9-13(10-12-24)18(21)16-3-2-4-17(22-16)23-19(25)14-5-7-15(20)8-6-14/h2-8H,9-12H2,1H3,(H,22,23,25).
What are the key properties of 4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide has a molecular weight of 359.83 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 146420206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).