N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide

C20H16F3N3O2 — CID 159717900

IUPACN-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1C(=O)CCC(F)(F)F
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)7-5-18(27)16-4-3-13(9-14(16)11-24)17-10-15(6-8-25-17)26-19(28)12-1-2-12/h3-4,6,8-10,12H,1-2,5,7H2,(H,25,26,28)
InChIKeySVMVYGJRWOXXFT-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.49
Rot. Bonds6

About N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide

N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide (PubChem CID 159717900) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide
PubChem CID159717900
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1C(=O)CCC(F)(F)F
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)7-5-18(27)16-4-3-13(9-14(16)11-24)17-10-15(6-8-25-17)26-19(28)12-1-2-12/h3-4,6,8-10,12H,1-2,5,7H2,(H,25,26,28)
InChIKeySVMVYGJRWOXXFT-UHFFFAOYSA-N
XLogP4.49
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide (CID 159717900) is N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide is N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1C(=O)CCC(F)(F)F.
What is the InChIKey of N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide?
The InChIKey is SVMVYGJRWOXXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)7-5-18(27)16-4-3-13(9-14(16)11-24)17-10-15(6-8-25-17)26-19(28)12-1-2-12/h3-4,6,8-10,12H,1-2,5,7H2,(H,25,26,28).
What are the key properties of N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide?
N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide has a molecular weight of 387.36 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-cyano-4-(4,4,4-trifluorobutanoyl)phenyl]-4-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 159717900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).