N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide

C20H20ClF3N2O3 — CID 147481344

IUPACN-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
SMILESCC(=O)Cc1cc(C(=O)NC(C)c2ccc(OCC(F)(F)F)c(Cl)c2)cc(C)n1
InChIInChI=1S/C20H20ClF3N2O3/c1-11-6-15(8-16(25-11)7-12(2)27)19(28)26-13(3)14-4-5-18(17(21)9-14)29-10-20(22,23)24/h4-6,8-9,13H,7,10H2,1-3H3,(H,26,28)
InChIKeyFDRZOMPQHYNJNK-UHFFFAOYSA-N
MW428.84 g/mol
LogP4.61
Rot. Bonds7

About N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide

N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide (PubChem CID 147481344) has the molecular formula C20H20ClF3N2O3 and a molecular weight of 428.84 g/mol. Its IUPAC name is N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
PubChem CID147481344
Molecular FormulaC20H20ClF3N2O3
Molecular Weight428.84 g/mol
Exact Mass428.11
IUPAC NameN-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
SMILESCC(=O)Cc1cc(C(=O)NC(C)c2ccc(OCC(F)(F)F)c(Cl)c2)cc(C)n1
InChIInChI=1S/C20H20ClF3N2O3/c1-11-6-15(8-16(25-11)7-12(2)27)19(28)26-13(3)14-4-5-18(17(21)9-14)29-10-20(22,23)24/h4-6,8-9,13H,7,10H2,1-3H3,(H,26,28)
InChIKeyFDRZOMPQHYNJNK-UHFFFAOYSA-N
XLogP4.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 157398028
N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 161085351
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 159204879
3-chloro-4-(2,2-difluoropropoxy)-N-[1-[2-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]benzamide
CID 157494045
2-acetamido-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511304
4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide
CID 159254658
2-bromo-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87426946
2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 67508998
N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide
CID 159042117
N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-(cyclopropanecarbonylamino)-6-methylpyridine-4-carboxamide
CID 67510855
2-methyl-6-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508904
methyl 2-[6-chloro-4-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylcarbamoyl]-2-pyridinyl]acetate
CID 141458166

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide (CID 147481344) is N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide is CC(=O)Cc1cc(C(=O)NC(C)c2ccc(OCC(F)(F)F)c(Cl)c2)cc(C)n1.
What is the InChIKey of N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
The InChIKey is FDRZOMPQHYNJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O3/c1-11-6-15(8-16(25-11)7-12(2)27)19(28)26-13(3)14-4-5-18(17(21)9-14)29-10-20(22,23)24/h4-6,8-9,13H,7,10H2,1-3H3,(H,26,28).
What are the key properties of N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide has a molecular weight of 428.84 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 147481344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).