2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide

C18H13F3N6O3 — CID 144848906

IUPAC2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
SMILESN/C=N\c1ncc(Oc2cncc(OC(F)F)c2)cc1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C18H13F3N6O3/c19-10-1-2-15(24-5-10)27-17(28)14-4-13(8-25-16(14)26-9-22)29-11-3-12(7-23-6-11)30-18(20)21/h1-9,18H,(H2,22,25,26)(H,24,27,28)
InChIKeyYTUXPOYRSJEXKK-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.28
Rot. Bonds7

About 2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide

2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 144848906) has the molecular formula C18H13F3N6O3 and a molecular weight of 418.34 g/mol. Its IUPAC name is 2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
PubChem CID144848906
Molecular FormulaC18H13F3N6O3
Molecular Weight418.34 g/mol
Exact Mass418.10
IUPAC Name2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
SMILESN/C=N\c1ncc(Oc2cncc(OC(F)F)c2)cc1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C18H13F3N6O3/c19-10-1-2-15(24-5-10)27-17(28)14-4-13(8-25-16(14)26-9-22)29-11-3-12(7-23-6-11)30-18(20)21/h1-9,18H,(H2,22,25,26)(H,24,27,28)
InChIKeyYTUXPOYRSJEXKK-UHFFFAOYSA-N
XLogP3.28
TPSA124.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 144848948
N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118104120
6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 118103909
N-(5-fluoro-2-pyridinyl)-6-pyridin-3-yloxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 118103936
2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
CID 62877597
4-[(5-fluoro-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244418
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634
5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
CID 144848991
N-(5-fluoro-2-pyridinyl)-2-iodobenzamide
CID 62877590
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245310

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide (CID 144848906) is 2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide is N/C=N\c1ncc(Oc2cncc(OC(F)F)c2)cc1C(=O)Nc1ccc(F)cn1.
What is the InChIKey of 2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is YTUXPOYRSJEXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O3/c19-10-1-2-15(24-5-10)27-17(28)14-4-13(8-25-16(14)26-9-22)29-11-3-12(7-23-6-11)30-18(20)21/h1-9,18H,(H2,22,25,26)(H,24,27,28).
What are the key properties of 2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 418.34 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 144848906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).