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

C21H24F3N3O2S — CID 90204391

IUPAC5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1cnc(C(C)(CC2CC2)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)s1
InChIInChI=1S/C21H24F3N3O2S/c1-12-9-26-19(30-12)20(2,8-13-3-4-13)27-18(28)16-7-17(29-11-21(22,23)24)15(10-25-16)14-5-6-14/h7,9-10,13-14H,3-6,8,11H2,1-2H3,(H,27,28)
InChIKeyKLXAWRGEXMGFKP-UHFFFAOYSA-N
MW439.50 g/mol
LogP5.11
Rot. Bonds8

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

5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 90204391) has the molecular formula C21H24F3N3O2S and a molecular weight of 439.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID90204391
Molecular FormulaC21H24F3N3O2S
Molecular Weight439.50 g/mol
Exact Mass439.15
IUPAC Name5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1cnc(C(C)(CC2CC2)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)s1
InChIInChI=1S/C21H24F3N3O2S/c1-12-9-26-19(30-12)20(2,8-13-3-4-13)27-18(28)16-7-17(29-11-21(22,23)24)15(10-25-16)14-5-6-14/h7,9-10,13-14H,3-6,8,11H2,1-2H3,(H,27,28)
InChIKeyKLXAWRGEXMGFKP-UHFFFAOYSA-N
XLogP5.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 90204391) is 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is Cc1cnc(C(C)(CC2CC2)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)s1.
What is the InChIKey of 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is KLXAWRGEXMGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2S/c1-12-9-26-19(30-12)20(2,8-13-3-4-13)27-18(28)16-7-17(29-11-21(22,23)24)15(10-25-16)14-5-6-14/h7,9-10,13-14H,3-6,8,11H2,1-2H3,(H,27,28).
What are the key properties of 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 90204391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).