N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide

C19H16F4N6O2 — CID 126755239

IUPACN-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2cc(F)c(F)c([C@](NC(N)=O)(C(F)F)[C@H]3C[C@H]3N)c2)nc1
InChIInChI=1S/C19H16F4N6O2/c20-12-4-9(28-16(30)14-2-1-8(6-24)7-27-14)3-11(15(12)21)19(17(22)23,29-18(26)31)10-5-13(10)25/h1-4,7,10,13,17H,5,25H2,(H,28,30)(H3,26,29,31)/t10-,13+,19-/m0/s1
InChIKeyFKEAFVUJZAAHJC-VARDARPISA-N
MW436.37 g/mol
LogP1.96
Rot. Bonds6

About N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide

N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide (PubChem CID 126755239) has the molecular formula C19H16F4N6O2 and a molecular weight of 436.37 g/mol. Its IUPAC name is N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide
PubChem CID126755239
Molecular FormulaC19H16F4N6O2
Molecular Weight436.37 g/mol
Exact Mass436.13
IUPAC NameN-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2cc(F)c(F)c([C@](NC(N)=O)(C(F)F)[C@H]3C[C@H]3N)c2)nc1
InChIInChI=1S/C19H16F4N6O2/c20-12-4-9(28-16(30)14-2-1-8(6-24)7-27-14)3-11(15(12)21)19(17(22)23,29-18(26)31)10-5-13(10)25/h1-4,7,10,13,17H,5,25H2,(H,28,30)(H3,26,29,31)/t10-,13+,19-/m0/s1
InChIKeyFKEAFVUJZAAHJC-VARDARPISA-N
XLogP1.96
TPSA146.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2-fluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide
CID 126755015
N-[3-[(1R,5S)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide
CID 126755115
N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4-fluorophenyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 126755292
N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 113245238
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
N-(4-carbamoylphenyl)-5-cyanopyridine-2-carboxamide
CID 63718017
N-[3-[3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.2.0]oct-3-en-5-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 123540419
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
N-[3-[(1R)-1-(carbamoylamino)-2-fluoro-1-[(1S,2R)-2-hydroxycyclopropyl]oxyethyl]-4,5-difluorophenyl]-5-ethenoxypyridine-2-carboxamide
CID 163890462

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide (CID 126755239) is N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2cc(F)c(F)c([C@](NC(N)=O)(C(F)F)[C@H]3C[C@H]3N)c2)nc1.
What is the InChIKey of N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is FKEAFVUJZAAHJC-VARDARPISA-N. The full InChI is InChI=1S/C19H16F4N6O2/c20-12-4-9(28-16(30)14-2-1-8(6-24)7-27-14)3-11(15(12)21)19(17(22)23,29-18(26)31)10-5-13(10)25/h1-4,7,10,13,17H,5,25H2,(H,28,30)(H3,26,29,31)/t10-,13+,19-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide?
N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 436.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[(1S,2R)-2-aminocyclopropyl]-1-(carbamoylamino)-2,2-difluoroethyl]-4,5-difluorophenyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 126755239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).