[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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Related Compounds

Azaperone
CID 15443
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
N-(pyridin-2-yl)benzamide
CID 219990
Piketoprofen
CID 68801
N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788941
Cinuperone
CID 133832
2-Ethyl-13-[2-(3-fluorophenyl)ethyl]-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470738
13-[2-(4-Aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470753
13-[2-(3-Aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470754
13-[2-(2-Aminophenyl)ethyl]-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470755
3-Acyl-2,6-diaminopyridine deriv. 2c
CID 5330817
3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827

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).