(2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone

C18H13F2N3O — CID 5330815

IUPAC(2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone
SMILESNc1nc(Nc2ccccc2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H13F2N3O/c19-13-7-4-8-14(20)16(13)17(24)12-9-10-15(23-18(12)21)22-11-5-2-1-3-6-11/h1-10H,(H3,21,22,23)
InChIKeyOJPSOLHRYLEIJT-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.92
Rot. Bonds4

About (2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone

(2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone (PubChem CID 5330815) has the molecular formula C18H13F2N3O and a molecular weight of 325.32 g/mol. Its IUPAC name is (2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone
PubChem CID5330815
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name(2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone
SMILESNc1nc(Nc2ccccc2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H13F2N3O/c19-13-7-4-8-14(20)16(13)17(24)12-9-10-15(23-18(12)21)22-11-5-2-1-3-6-11/h1-10H,(H3,21,22,23)
InChIKeyOJPSOLHRYLEIJT-UHFFFAOYSA-N
XLogP3.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone (CID 5330815) is (2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone is Nc1nc(Nc2ccccc2)ccc1C(=O)c1c(F)cccc1F.
What is the InChIKey of (2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone?
The InChIKey is OJPSOLHRYLEIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O/c19-13-7-4-8-14(20)16(13)17(24)12-9-10-15(23-18(12)21)22-11-5-2-1-3-6-11/h1-10H,(H3,21,22,23).
What are the key properties of (2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone?
(2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone has a molecular weight of 325.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-anilino-3-pyridinyl)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).