[2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone

C17H12F2N4O — CID 5330839

IUPAC[2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESNc1nc(Nc2ccccn2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C17H12F2N4O/c18-11-4-3-5-12(19)15(11)16(24)10-7-8-14(23-17(10)20)22-13-6-1-2-9-21-13/h1-9H,(H3,20,21,22,23)
InChIKeySBRXEAHVZOMHEU-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.31
Rot. Bonds4

About [2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone

[2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone (PubChem CID 5330839) has the molecular formula C17H12F2N4O and a molecular weight of 326.31 g/mol. Its IUPAC name is [2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
PubChem CID5330839
Molecular FormulaC17H12F2N4O
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name[2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone
SMILESNc1nc(Nc2ccccn2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C17H12F2N4O/c18-11-4-3-5-12(19)15(11)16(24)10-7-8-14(23-17(10)20)22-13-6-1-2-9-21-13/h1-9H,(H3,20,21,22,23)
InChIKeySBRXEAHVZOMHEU-UHFFFAOYSA-N
XLogP3.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone (CID 5330839) is [2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone is Nc1nc(Nc2ccccn2)ccc1C(=O)c1c(F)cccc1F.
What is the InChIKey of [2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
The InChIKey is SBRXEAHVZOMHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O/c18-11-4-3-5-12(19)15(11)16(24)10-7-8-14(23-17(10)20)22-13-6-1-2-9-21-13/h1-9H,(H3,20,21,22,23).
What are the key properties of [2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone?
[2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone has a molecular weight of 326.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(pyridin-2-ylamino)-3-pyridinyl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).