2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide

C20H20F2N6O2 — CID 58783896

IUPAC2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1c(F)cccc1F)c1nnc2ccc(C#N)cn12
InChIInChI=1S/C20H20F2N6O2/c1-20(2,24)19(29)25-16(11-30-10-13-14(21)4-3-5-15(13)22)18-27-26-17-7-6-12(8-23)9-28(17)18/h3-7,9,16H,10-11,24H2,1-2H3,(H,25,29)/t16-/m1/s1
InChIKeyOIZIFILLYWHWDY-MRXNPFEDSA-N
MW414.42 g/mol
LogP1.99
Rot. Bonds7

About 2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide

2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide (PubChem CID 58783896) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide
PubChem CID58783896
Molecular FormulaC20H20F2N6O2
Molecular Weight414.42 g/mol
Exact Mass414.16
IUPAC Name2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1c(F)cccc1F)c1nnc2ccc(C#N)cn12
InChIInChI=1S/C20H20F2N6O2/c1-20(2,24)19(29)25-16(11-30-10-13-14(21)4-3-5-15(13)22)18-27-26-17-7-6-12(8-23)9-28(17)18/h3-7,9,16H,10-11,24H2,1-2H3,(H,25,29)/t16-/m1/s1
InChIKeyOIZIFILLYWHWDY-MRXNPFEDSA-N
XLogP1.99
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide (CID 58783896) is 2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](COCc1c(F)cccc1F)c1nnc2ccc(C#N)cn12.
What is the InChIKey of 2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide?
The InChIKey is OIZIFILLYWHWDY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c1-20(2,24)19(29)25-16(11-30-10-13-14(21)4-3-5-15(13)22)18-27-26-17-7-6-12(8-23)9-28(17)18/h3-7,9,16H,10-11,24H2,1-2H3,(H,25,29)/t16-/m1/s1.
What are the key properties of 2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide?
2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide has a molecular weight of 414.42 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-2-methylpropanamide is sourced from PubChem (CID 58783896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).