N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide

C21H18F5N3O2 — CID 134268952

IUPACN-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(C(F)(F)C(F)(F)F)cc2)cc(NC(=O)C2CC2)n1)C1CC1
InChIInChI=1S/C21H18F5N3O2/c22-20(23,21(24,25)26)15-7-5-11(6-8-15)14-9-16(28-18(30)12-1-2-12)27-17(10-14)29-19(31)13-3-4-13/h5-10,12-13H,1-4H2,(H2,27,28,29,30,31)
InChIKeyCMSCWGDGHRDQHY-UHFFFAOYSA-N
MW439.38 g/mol
LogP5.10
Rot. Bonds6

About N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide

N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 134268952) has the molecular formula C21H18F5N3O2 and a molecular weight of 439.38 g/mol. Its IUPAC name is N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID134268952
Molecular FormulaC21H18F5N3O2
Molecular Weight439.38 g/mol
Exact Mass439.13
IUPAC NameN-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(C(F)(F)C(F)(F)F)cc2)cc(NC(=O)C2CC2)n1)C1CC1
InChIInChI=1S/C21H18F5N3O2/c22-20(23,21(24,25)26)15-7-5-11(6-8-15)14-9-16(28-18(30)12-1-2-12)27-17(10-14)29-19(31)13-3-4-13/h5-10,12-13H,1-4H2,(H2,27,28,29,30,31)
InChIKeyCMSCWGDGHRDQHY-UHFFFAOYSA-N
XLogP5.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.38
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 134268885
N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 134268910
1-cyano-N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 134268872
[6-(cyclopropanecarbonylamino)-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl] hydrogen carbonate
CID 130429797
N-[6-[N'-[(4-cyanophenyl)methyl]carbamimidoyl]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 130429789
N-[4-[4-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560864
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
CID 29204823
4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
CID 167830419
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42694207
N-[2-methyl-7-[2-methylsulfanyl-4-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334549

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide (CID 134268952) is N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(-c2ccc(C(F)(F)C(F)(F)F)cc2)cc(NC(=O)C2CC2)n1)C1CC1.
What is the InChIKey of N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is CMSCWGDGHRDQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N3O2/c22-20(23,21(24,25)26)15-7-5-11(6-8-15)14-9-16(28-18(30)12-1-2-12)27-17(10-14)29-19(31)13-3-4-13/h5-10,12-13H,1-4H2,(H2,27,28,29,30,31).
What are the key properties of N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 439.38 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 134268952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).