5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C20H22F3N3O3S — CID 90204776

IUPAC5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1csc(C2(NC(=O)c3cc(OCC(F)(F)F)c(C4CC4)cn3)CCOCC2)n1
InChIInChI=1S/C20H22F3N3O3S/c1-12-10-30-18(25-12)19(4-6-28-7-5-19)26-17(27)15-8-16(29-11-20(21,22)23)14(9-24-15)13-2-3-13/h8-10,13H,2-7,11H2,1H3,(H,26,27)
InChIKeyCBRRLUJNELMTJJ-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.10
Rot. Bonds6

About 5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 90204776) has the molecular formula C20H22F3N3O3S and a molecular weight of 441.48 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID90204776
Molecular FormulaC20H22F3N3O3S
Molecular Weight441.48 g/mol
Exact Mass441.13
IUPAC Name5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1csc(C2(NC(=O)c3cc(OCC(F)(F)F)c(C4CC4)cn3)CCOCC2)n1
InChIInChI=1S/C20H22F3N3O3S/c1-12-10-30-18(25-12)19(4-6-28-7-5-19)26-17(27)15-8-16(29-11-20(21,22)23)14(9-24-15)13-2-3-13/h8-10,13H,2-7,11H2,1H3,(H,26,27)
InChIKeyCBRRLUJNELMTJJ-UHFFFAOYSA-N
XLogP4.10
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90204089
N-[3-(2-amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-4-[1-fluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90214982
N-[(3S)-1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44334035
5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid [1-methyl-1-(5-methyl-thiazol-2-yl)-ethyl]-amide
CID 71093531
5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71093543
5-Cyclopropyl-6-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71093567
5-Cyclopentyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71093603
6-Cyclopropylmethoxy-5-(tetrahydro-pyran-4-yl)-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71105555
6-Cyclopropylmethoxy-5-(tetrahydro-pyran-4-yl)-pyridine-2-carboxylic acid ((S)-2-cyclopropyl-1-thiazol-2-yl-ethyl)-amide
CID 71105570
6-Cyclopropylmethoxy-5-methyl-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71105572
5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid ((S)-2-cyclopropyl-1-thiazol-2-yl-ethyl)-amide
CID 71105591
6-Cyclopropylmethoxy-5-trifluoromethyl-pyridine-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl)-amide
CID 71105605

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 90204776) is 5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is Cc1csc(C2(NC(=O)c3cc(OCC(F)(F)F)c(C4CC4)cn3)CCOCC2)n1.
What is the InChIKey of 5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is CBRRLUJNELMTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3S/c1-12-10-30-18(25-12)19(4-6-28-7-5-19)26-17(27)15-8-16(29-11-20(21,22)23)14(9-24-15)13-2-3-13/h8-10,13H,2-7,11H2,1H3,(H,26,27).
What are the key properties of 5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 90204776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).