[2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone

C18H14F2N4O — CID 5330827

IUPAC[2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESNc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
InChIInChI=1S/C18H14F2N4O/c19-13-2-1-3-14(20)16(13)17(25)12-8-9-15(24-18(12)22)23-11-6-4-10(21)5-7-11/h1-9H,21H2,(H3,22,23,24)
InChIKeyRAIKTPLTDIBFLU-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.50
Rot. Bonds4

About [2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone

[2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone (PubChem CID 5330827) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is [2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
PubChem CID5330827
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name[2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESNc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
InChIInChI=1S/C18H14F2N4O/c19-13-2-1-3-14(20)16(13)17(25)12-8-9-15(24-18(12)22)23-11-6-4-10(21)5-7-11/h1-9H,21H2,(H3,22,23,24)
InChIKeyRAIKTPLTDIBFLU-UHFFFAOYSA-N
XLogP3.50
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone (CID 5330827) is [2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone is Nc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1.
What is the InChIKey of [2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The InChIKey is RAIKTPLTDIBFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-13-2-1-3-14(20)16(13)17(25)12-8-9-15(24-18(12)22)23-11-6-4-10(21)5-7-11/h1-9H,21H2,(H3,22,23,24).
What are the key properties of [2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
[2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone has a molecular weight of 340.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(4-aminoanilino)-3-pyridinyl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).