N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide

C22H19F3N6O — CID 11189887

IUPACN-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide
SMILESN#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCc1ccc(N)nc1
InChIInChI=1S/C22H19F3N6O/c23-21-16(9-20(32)30-12-14-4-7-19(27)29-11-14)15(10-26)5-6-17(21)31-13-22(24,25)18-3-1-2-8-28-18/h1-8,11,31H,9,12-13H2,(H2,27,29)(H,30,32)
InChIKeyUOKDWGUITBJLLA-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.13
Rot. Bonds8

About N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide

N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide (PubChem CID 11189887) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide
PubChem CID11189887
Molecular FormulaC22H19F3N6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide
SMILESN#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCc1ccc(N)nc1
InChIInChI=1S/C22H19F3N6O/c23-21-16(9-20(32)30-12-14-4-7-19(27)29-11-14)15(10-26)5-6-17(21)31-13-22(24,25)18-3-1-2-8-28-18/h1-8,11,31H,9,12-13H2,(H2,27,29)(H,30,32)
InChIKeyUOKDWGUITBJLLA-UHFFFAOYSA-N
XLogP3.13
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide
CID 9867609
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-cyano-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-fluoro-phenyl]-acetamide
CID 11236372
(2R,5S)-N-(6-aminopyridin-3-yl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine-1-carboxamide
CID 11661683
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(6-chloro-3-(2-(5-chloropyridin-2-yl)-2,2-difluoroethylamino)-2-fluorophenyl)acetamide
CID 24779756
2-[6-cyano-3-[[2,2-difluoro-2-(3-methylpyridin-2-yl)ethyl]amino]-2-fluorophenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide
CID 11374307
2-[6-cyano-3-[[2,2-difluoro-2-(4-methylpyridin-2-yl)ethyl]amino]-2-fluorophenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide
CID 11419529
2-[6-cyano-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-fluorophenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide
CID 11465119
N-[2-[carbamimidoyl(methyl)amino]oxyethyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide
CID 11751278
4-(3-(6-aminopyridin-3-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 22317185
N-[2-(Amidinoaminooxy)ethyl]-2-{3-[(2,2-difluoro-2-(5-methylpyridyl)ethyl)amino]-6-cyano-2-fluorophenyl}acetamide
CID 44448299
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(pyridin-2-yl)piperazine-1-carboxamide
CID 11539440
2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide
CID 44444905

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide (CID 11189887) is N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide is N#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCc1ccc(N)nc1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide?
The InChIKey is UOKDWGUITBJLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O/c23-21-16(9-20(32)30-12-14-4-7-19(27)29-11-14)15(10-26)5-6-17(21)31-13-22(24,25)18-3-1-2-8-28-18/h1-8,11,31H,9,12-13H2,(H2,27,29)(H,30,32).
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide?
N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide has a molecular weight of 440.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 11189887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).