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

C19H14ClF4N3O2S — CID 55785030

IUPAC5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1nc(CN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)c2ccc(F)cc2)cs1
InChIInChI=1S/C19H14ClF4N3O2S/c1-11-26-14(9-30-11)8-27(15-4-2-13(21)3-5-15)18(28)12-6-16(20)17(25-7-12)29-10-19(22,23)24/h2-7,9H,8,10H2,1H3
InChIKeyLLPXSPUQWMSCCY-UHFFFAOYSA-N
MW459.85 g/mol
LogP5.43
Rot. Bonds6

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

5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55785030) has the molecular formula C19H14ClF4N3O2S and a molecular weight of 459.85 g/mol. Its IUPAC name is 5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55785030
Molecular FormulaC19H14ClF4N3O2S
Molecular Weight459.85 g/mol
Exact Mass459.04
IUPAC Name5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1nc(CN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)c2ccc(F)cc2)cs1
InChIInChI=1S/C19H14ClF4N3O2S/c1-11-26-14(9-30-11)8-27(15-4-2-13(21)3-5-15)18(28)12-6-16(20)17(25-7-12)29-10-19(22,23)24/h2-7,9H,8,10H2,1H3
InChIKeyLLPXSPUQWMSCCY-UHFFFAOYSA-N
XLogP5.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.85
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dichloro-N-(4-fluorophenyl)-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 55785386
2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55732627
N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 55732875
N-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112828591
5,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47442951
2-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 78886776
2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 78886785
6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55041466
3-(3-fluorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86992303
5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739082
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109420764
5-chloro-N-(3,5-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55741055

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55785030) is 5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1nc(CN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)c2ccc(F)cc2)cs1.
What is the InChIKey of 5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is LLPXSPUQWMSCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF4N3O2S/c1-11-26-14(9-30-11)8-27(15-4-2-13(21)3-5-15)18(28)12-6-16(20)17(25-7-12)29-10-19(22,23)24/h2-7,9H,8,10H2,1H3.
What are the key properties of 5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 459.85 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55785030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).