2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

C21H21F3N6O2 — CID 158089868

IUPAC2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1cc(-c2cnc(CC(=O)C3CC3)cn2)cnc1C#N)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C21H21F3N6O2/c1-12(20(32)30(2)11-21(22,23)24)29-16-5-14(8-27-17(16)7-25)18-10-26-15(9-28-18)6-19(31)13-3-4-13/h5,8-10,12-13,29H,3-4,6,11H2,1-2H3
InChIKeyFNYWKHFYHOKSEX-UHFFFAOYSA-N
MW446.43 g/mol
LogP2.75
Rot. Bonds8

About 2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 158089868) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID158089868
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1cc(-c2cnc(CC(=O)C3CC3)cn2)cnc1C#N)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C21H21F3N6O2/c1-12(20(32)30(2)11-21(22,23)24)29-16-5-14(8-27-17(16)7-25)18-10-26-15(9-28-18)6-19(31)13-3-4-13/h5,8-10,12-13,29H,3-4,6,11H2,1-2H3
InChIKeyFNYWKHFYHOKSEX-UHFFFAOYSA-N
XLogP2.75
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 158089868) is 2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(Nc1cc(-c2cnc(CC(=O)C3CC3)cn2)cnc1C#N)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is FNYWKHFYHOKSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-12(20(32)30(2)11-21(22,23)24)29-16-5-14(8-27-17(16)7-25)18-10-26-15(9-28-18)6-19(31)13-3-4-13/h5,8-10,12-13,29H,3-4,6,11H2,1-2H3.
What are the key properties of 2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 446.43 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyano-5-[5-(2-cyclopropyl-2-oxoethyl)pyrazin-2-yl]-3-pyridinyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 158089868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).