N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide

C21H24FN3O2 — CID 46068384

IUPACN-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H24FN3O2/c1-3-23-20(26)17-9-8-14(2)24-19(17)15-10-12-25(13-11-15)21(27)16-6-4-5-7-18(16)22/h4-9,15H,3,10-13H2,1-2H3,(H,23,26)
InChIKeyBRJHKQXHIJSALH-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.30
Rot. Bonds4

About N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide

N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide (PubChem CID 46068384) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
PubChem CID46068384
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H24FN3O2/c1-3-23-20(26)17-9-8-14(2)24-19(17)15-10-12-25(13-11-15)21(27)16-6-4-5-7-18(16)22/h4-9,15H,3,10-13H2,1-2H3,(H,23,26)
InChIKeyBRJHKQXHIJSALH-UHFFFAOYSA-N
XLogP3.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Daporinad
CID 6914657
Losmapimod
CID 11552706
Niaprazine
CID 71919
(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
N-((4-dimethylamino)butyl)-9-aminoacridine-4-carboxamide
CID 124660
N-[3,3-Bis-(4-fluorophenyl)-propyl]-nicotinamide
CID 11976535
Pyrrolopyridine, 24
CID 16720095
Pyrrolopyridine, 25
CID 16720200
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
VU0360172
CID 53318624

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide (CID 46068384) is N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide is CCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is BRJHKQXHIJSALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-3-23-20(26)17-9-8-14(2)24-19(17)15-10-12-25(13-11-15)21(27)16-6-4-5-7-18(16)22/h4-9,15H,3,10-13H2,1-2H3,(H,23,26).
What are the key properties of N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 46068384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).