4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile

C19H12F2N4O — CID 5330816

IUPAC4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
InChIInChI=1S/C19H12F2N4O/c20-14-2-1-3-15(21)17(14)18(26)13-8-9-16(25-19(13)23)24-12-6-4-11(10-22)5-7-12/h1-9H,(H3,23,24,25)
InChIKeyPEUSGTAOOLZICU-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.79
Rot. Bonds4

About 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile

4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile (PubChem CID 5330816) has the molecular formula C19H12F2N4O and a molecular weight of 350.33 g/mol. Its IUPAC name is 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile
PubChem CID5330816
Molecular FormulaC19H12F2N4O
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
InChIInChI=1S/C19H12F2N4O/c20-14-2-1-3-15(21)17(14)18(26)13-8-9-16(25-19(13)23)24-12-6-4-11(10-22)5-7-12/h1-9H,(H3,23,24,25)
InChIKeyPEUSGTAOOLZICU-UHFFFAOYSA-N
XLogP3.79
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Vx-702
CID 10341154
3-Acyl-2,6-diaminopyridine deriv. 2c
CID 5330817
3-Acyl-2,6-diaminopyridine deriv. 2l
CID 5330826
3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827
3-Acyl-2,6-diaminopyridine deriv. 2r
CID 5330832
TC-Mps1-12
CID 70682875
3-cyano-N-(6-ethylpyridin-2-yl)-5-fluorobenzamide
CID 49862385
3-Acyl-2,6-diaminopyridine deriv. 2j
CID 5330824
3-Acyl-2,6-diaminopyridine deriv. 2k
CID 5330825
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
3-Acyl-2,6-diaminopyridine deriv. 3a
CID 5330840
3-Acyl-2,6-diaminopyridine deriv. 3b
CID 5330841

Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile (CID 5330816) is 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile is N#Cc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1.
What is the InChIKey of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile?
The InChIKey is PEUSGTAOOLZICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O/c20-14-2-1-3-15(21)17(14)18(26)13-8-9-16(25-19(13)23)24-12-6-4-11(10-22)5-7-12/h1-9H,(H3,23,24,25).
What are the key properties of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile?
4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile has a molecular weight of 350.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 5330816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).