N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide

C21H21ClF3N3O3 — CID 159507853

IUPACN-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(OCC(F)(F)F)c(Cl)c2)cc(CC(=O)CC2CC2)n1
InChIInChI=1S/C21H21ClF3N3O3/c1-12-4-15(7-16(28-12)8-17(29)5-13-2-3-13)19(30)26-9-14-6-18(22)20(27-10-14)31-11-21(23,24)25/h4,6-7,10,13H,2-3,5,8-9,11H2,1H3,(H,26,30)
InChIKeyMAFLLFJCDBXDAL-UHFFFAOYSA-N
MW455.86 g/mol
LogP4.22
Rot. Bonds9

About N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide

N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide (PubChem CID 159507853) has the molecular formula C21H21ClF3N3O3 and a molecular weight of 455.86 g/mol. Its IUPAC name is N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide
PubChem CID159507853
Molecular FormulaC21H21ClF3N3O3
Molecular Weight455.86 g/mol
Exact Mass455.12
IUPAC NameN-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(OCC(F)(F)F)c(Cl)c2)cc(CC(=O)CC2CC2)n1
InChIInChI=1S/C21H21ClF3N3O3/c1-12-4-15(7-16(28-12)8-17(29)5-13-2-3-13)19(30)26-9-14-6-18(22)20(27-10-14)31-11-21(23,24)25/h4,6-7,10,13H,2-3,5,8-9,11H2,1H3,(H,26,30)
InChIKeyMAFLLFJCDBXDAL-UHFFFAOYSA-N
XLogP4.22
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.86
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide with MolForge

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Related Compounds

2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510173
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67510976
2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511008
N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509658
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[(1-methylcyclopropanecarbonyl)amino]pyridine-4-carboxamide
CID 67509188
2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 147423680
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 160783831
N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-(cyclopropanecarbonylamino)-6-methylpyridine-4-carboxamide
CID 67510855
N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide
CID 158079738
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 161266007
5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739738
2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide
CID 67509039

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide (CID 159507853) is N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCc2cnc(OCC(F)(F)F)c(Cl)c2)cc(CC(=O)CC2CC2)n1.
What is the InChIKey of N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide?
The InChIKey is MAFLLFJCDBXDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N3O3/c1-12-4-15(7-16(28-12)8-17(29)5-13-2-3-13)19(30)26-9-14-6-18(22)20(27-10-14)31-11-21(23,24)25/h4,6-7,10,13H,2-3,5,8-9,11H2,1H3,(H,26,30).
What are the key properties of N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide?
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide has a molecular weight of 455.86 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 159507853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).