N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide

C21H16F7N3O2 — CID 134268885

IUPACN-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2cc(F)c(C(F)(F)C(F)(F)F)c(F)c2)cc(NC(=O)C2CC2)n1)C1CC1
InChIInChI=1S/C21H16F7N3O2/c22-13-5-11(6-14(23)17(13)20(24,25)21(26,27)28)12-7-15(30-18(32)9-1-2-9)29-16(8-12)31-19(33)10-3-4-10/h5-10H,1-4H2,(H2,29,30,31,32,33)
InChIKeyLHNIWLXLGWAHMI-UHFFFAOYSA-N
MW475.36 g/mol
LogP5.38
Rot. Bonds6

About N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide

N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 134268885) has the molecular formula C21H16F7N3O2 and a molecular weight of 475.36 g/mol. Its IUPAC name is N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID134268885
Molecular FormulaC21H16F7N3O2
Molecular Weight475.36 g/mol
Exact Mass475.11
IUPAC NameN-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2cc(F)c(C(F)(F)C(F)(F)F)c(F)c2)cc(NC(=O)C2CC2)n1)C1CC1
InChIInChI=1S/C21H16F7N3O2/c22-13-5-11(6-14(23)17(13)20(24,25)21(26,27)28)12-7-15(30-18(32)9-1-2-9)29-16(8-12)31-19(33)10-3-4-10/h5-10H,1-4H2,(H2,29,30,31,32,33)
InChIKeyLHNIWLXLGWAHMI-UHFFFAOYSA-N
XLogP5.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.36
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(cyclopropanecarbonylamino)-4-[3-fluoro-5-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 134268910
N-[6-(cyclopropanecarbonylamino)-4-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 134268952
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-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
CID 167830419
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
CID 165132565
N-[6-[N'-[(4-cyanophenyl)methyl]carbamimidoyl]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 130429789
4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid
CID 171437028
N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide
CID 165134210
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
N-(6-methylpyrazin-2-yl)cyclopropanecarboxamide
CID 118258313

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide (CID 134268885) is N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(-c2cc(F)c(C(F)(F)C(F)(F)F)c(F)c2)cc(NC(=O)C2CC2)n1)C1CC1.
What is the InChIKey of N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is LHNIWLXLGWAHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F7N3O2/c22-13-5-11(6-14(23)17(13)20(24,25)21(26,27)28)12-7-15(30-18(32)9-1-2-9)29-16(8-12)31-19(33)10-3-4-10/h5-10H,1-4H2,(H2,29,30,31,32,33).
What are the key properties of N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[6-(cyclopropanecarbonylamino)-4-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 475.36 g/mol, XLogP of 5.38, 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-[3,5-difluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 134268885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).