N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide

C23H15FN4O2 — CID 87236109

IUPACN-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide
SMILESN#Cc1cc(Oc2ccc(NN(C=O)c3ccc4ccccc4c3)c(F)c2)ccn1
InChIInChI=1S/C23H15FN4O2/c24-22-13-20(30-21-9-10-26-18(12-21)14-25)7-8-23(22)27-28(15-29)19-6-5-16-3-1-2-4-17(16)11-19/h1-13,15,27H
InChIKeyNJZZUFBNEANVLW-UHFFFAOYSA-N
MW398.40 g/mol
LogP5.03
Rot. Bonds6

About N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide

N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide (PubChem CID 87236109) has the molecular formula C23H15FN4O2 and a molecular weight of 398.40 g/mol. Its IUPAC name is N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide.

Molecular Properties

Compound NameN-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide
PubChem CID87236109
Molecular FormulaC23H15FN4O2
Molecular Weight398.40 g/mol
Exact Mass398.12
IUPAC NameN-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide
SMILESN#Cc1cc(Oc2ccc(NN(C=O)c3ccc4ccccc4c3)c(F)c2)ccn1
InChIInChI=1S/C23H15FN4O2/c24-22-13-20(30-21-9-10-26-18(12-21)14-25)7-8-23(22)27-28(15-29)19-6-5-16-3-1-2-4-17(16)11-19/h1-13,15,27H
InChIKeyNJZZUFBNEANVLW-UHFFFAOYSA-N
XLogP5.03
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide?
The IUPAC name of N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide (CID 87236109) is N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide.
What is the SMILES notation for N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide?
The canonical SMILES for N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide is N#Cc1cc(Oc2ccc(NN(C=O)c3ccc4ccccc4c3)c(F)c2)ccn1.
What is the InChIKey of N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide?
The InChIKey is NJZZUFBNEANVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O2/c24-22-13-20(30-21-9-10-26-18(12-21)14-25)7-8-23(22)27-28(15-29)19-6-5-16-3-1-2-4-17(16)11-19/h1-13,15,27H.
What are the key properties of N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide?
N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide has a molecular weight of 398.40 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-cyano-4-pyridinyl)oxy]-2-fluoroanilino]-N-naphthalen-2-ylformamide is sourced from PubChem (CID 87236109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).