N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C21H22ClF3N4O3 — CID 55801465

IUPACN-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)c3cnc(OCC(F)(F)F)c(Cl)c3)c2)CC1
InChIInChI=1S/C21H22ClF3N4O3/c22-17-9-15(10-27-20(17)32-12-21(23,24)25)19(31)28-16-3-1-2-13(8-16)11-29-6-4-14(5-7-29)18(26)30/h1-3,8-10,14H,4-7,11-12H2,(H2,26,30)(H,28,31)
InChIKeyOBDCERLLOASEPW-UHFFFAOYSA-N
MW470.88 g/mol
LogP3.63
Rot. Bonds7

About N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55801465) has the molecular formula C21H22ClF3N4O3 and a molecular weight of 470.88 g/mol. Its IUPAC name is N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55801465
Molecular FormulaC21H22ClF3N4O3
Molecular Weight470.88 g/mol
Exact Mass470.13
IUPAC NameN-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)c3cnc(OCC(F)(F)F)c(Cl)c3)c2)CC1
InChIInChI=1S/C21H22ClF3N4O3/c22-17-9-15(10-27-20(17)32-12-21(23,24)25)19(31)28-16-3-1-2-13(8-16)11-29-6-4-14(5-7-29)18(26)30/h1-3,8-10,14H,4-7,11-12H2,(H2,26,30)(H,28,31)
InChIKeyOBDCERLLOASEPW-UHFFFAOYSA-N
XLogP3.63
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.88
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 87005424
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
5-chloro-N-(3,5-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55741055
1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55858769
5-chloro-N-(2,6-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55752771
N-[3-(thiomorpholin-4-ylmethyl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 49005408
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768096
N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46485194
2-(aminomethyl)-N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119853111

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55801465) is N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is NC(=O)C1CCN(Cc2cccc(NC(=O)c3cnc(OCC(F)(F)F)c(Cl)c3)c2)CC1.
What is the InChIKey of N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is OBDCERLLOASEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N4O3/c22-17-9-15(10-27-20(17)32-12-21(23,24)25)19(31)28-16-3-1-2-13(8-16)11-29-6-4-14(5-7-29)18(26)30/h1-3,8-10,14H,4-7,11-12H2,(H2,26,30)(H,28,31).
What are the key properties of N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 470.88 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55801465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).