2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide

C17H11F3N6O2 — CID 144848948

IUPAC2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
SMILESN/C=N\c1ncc(Oc2cnc(F)c(F)c2)cc1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C17H11F3N6O2/c18-9-1-2-14(22-5-9)26-17(27)12-3-10(7-24-16(12)25-8-21)28-11-4-13(19)15(20)23-6-11/h1-8H,(H2,21,24,25)(H,22,26,27)
InChIKeyBTLJUJUSYUDNPF-UHFFFAOYSA-N
MW388.31 g/mol
LogP2.95
Rot. Bonds5

About 2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide

2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 144848948) has the molecular formula C17H11F3N6O2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
PubChem CID144848948
Molecular FormulaC17H11F3N6O2
Molecular Weight388.31 g/mol
Exact Mass388.09
IUPAC Name2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
SMILESN/C=N\c1ncc(Oc2cnc(F)c(F)c2)cc1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C17H11F3N6O2/c18-9-1-2-14(22-5-9)26-17(27)12-3-10(7-24-16(12)25-8-21)28-11-4-13(19)15(20)23-6-11/h1-8H,(H2,21,24,25)(H,22,26,27)
InChIKeyBTLJUJUSYUDNPF-UHFFFAOYSA-N
XLogP2.95
TPSA115.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 144848906
6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 118103909
2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
CID 62877597
N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118104120
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
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
3-fluoro-N-(5-fluoro-2-pyridinyl)-2-hydrazinylbenzamide
CID 65481879
4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide
CID 63235900
N-(5-fluoro-2-pyridinyl)-2-iodobenzamide
CID 62877590
5-amino-2-(dimethylamino)-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482639
N-(5-fluoro-2-pyridinyl)-6-pyridin-3-yloxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 118103936

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide (CID 144848948) is 2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide is N/C=N\c1ncc(Oc2cnc(F)c(F)c2)cc1C(=O)Nc1ccc(F)cn1.
What is the InChIKey of 2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is BTLJUJUSYUDNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O2/c18-9-1-2-14(22-5-9)26-17(27)12-3-10(7-24-16(12)25-8-21)28-11-4-13(19)15(20)23-6-11/h1-8H,(H2,21,24,25)(H,22,26,27).
What are the key properties of 2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide?
2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-aminomethylideneamino]-5-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 144848948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).