5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen

C18H17FN6O3 — CID 144848991

IUPAC5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
SMILES[H]/N=c1/c(C(=O)Nc2ccc(OC)cn2)cc(Oc2cncc(F)c2)cn1/C=N/[H].[H][H]
InChIInChI=1S/C18H15FN6O3.H2/c1-27-12-2-3-16(23-8-12)24-18(26)15-5-14(9-25(10-20)17(15)21)28-13-4-11(19)6-22-7-13;/h2-10,20-21H,1H3,(H,23,24,26);1H/b20-10+,21-17-;
InChIKeyGRCZZPLKQFUYBV-PHNSNSMDSA-N
MW384.37 g/mol
LogP2.65
Rot. Bonds6

About 5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen

5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 144848991) has the molecular formula C18H17FN6O3 and a molecular weight of 384.37 g/mol. Its IUPAC name is 5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
PubChem CID144848991
Molecular FormulaC18H17FN6O3
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC Name5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
SMILES[H]/N=c1/c(C(=O)Nc2ccc(OC)cn2)cc(Oc2cncc(F)c2)cn1/C=N/[H].[H][H]
InChIInChI=1S/C18H15FN6O3.H2/c1-27-12-2-3-16(23-8-12)24-18(26)15-5-14(9-25(10-20)17(15)21)28-13-4-11(19)6-22-7-13;/h2-10,20-21H,1H3,(H,23,24,26);1H/b20-10+,21-17-;
InChIKeyGRCZZPLKQFUYBV-PHNSNSMDSA-N
XLogP2.65
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

N-(5-fluoro-2-pyridinyl)-6-[(5-methoxy-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118104120
2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
CID 62877597
N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 118103947
N-(5-fluoro-6-methyl-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridine-8-carboxamide
CID 118103882
N-(6-fluoro-2-pyridinyl)-6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118104064
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
6-[(5-fluoro-3-pyridinyl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 118103887
N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide
CID 139521752
2-[(Z)-aminomethylideneamino]-5-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 144848906
methyl 4,5-difluoro-2-[(2-imino-1-methanimidoylpyridine-3-carbonyl)amino]benzoate
CID 156642677
N-(5-amino-2-pyridinyl)-2-fluoro-4-methoxybenzamide
CID 102881864

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen (CID 144848991) is 5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen is [H]/N=c1/c(C(=O)Nc2ccc(OC)cn2)cc(Oc2cncc(F)c2)cn1/C=N/[H].[H][H].
What is the InChIKey of 5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?
The InChIKey is GRCZZPLKQFUYBV-PHNSNSMDSA-N. The full InChI is InChI=1S/C18H15FN6O3.H2/c1-27-12-2-3-16(23-8-12)24-18(26)15-5-14(9-25(10-20)17(15)21)28-13-4-11(19)6-22-7-13;/h2-10,20-21H,1H3,(H,23,24,26);1H/b20-10+,21-17-;.
What are the key properties of 5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?
5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 384.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 144848991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).