furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate

C19H13ClF2N4O4 — CID 142440207

IUPACfuran-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])c1ccco1)c1ccnc(NC(=O)c2cc(Cl)ccc2OC(F)F)c1
InChIInChI=1S/C19H13ClF2N4O4/c20-11-3-4-13(29-19(21)22)12(9-11)18(27)26-15-8-10(5-6-25-15)16(23)30-17(24)14-2-1-7-28-14/h1-9,19,23-24H,(H,25,26,27)/b23-16-,24-17+
InChIKeyLIZCTTKKPWDGOS-JVBWRSBESA-N
MW434.79 g/mol
LogP4.55
Rot. Bonds6

About furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate

furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate (PubChem CID 142440207) has the molecular formula C19H13ClF2N4O4 and a molecular weight of 434.79 g/mol. Its IUPAC name is furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate.

Molecular Properties

Compound Namefuran-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate
PubChem CID142440207
Molecular FormulaC19H13ClF2N4O4
Molecular Weight434.79 g/mol
Exact Mass434.06
IUPAC Namefuran-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])c1ccco1)c1ccnc(NC(=O)c2cc(Cl)ccc2OC(F)F)c1
InChIInChI=1S/C19H13ClF2N4O4/c20-11-3-4-13(29-19(21)22)12(9-11)18(27)26-15-8-10(5-6-25-15)16(23)30-17(24)14-2-1-7-28-14/h1-9,19,23-24H,(H,25,26,27)/b23-16-,24-17+
InChIKeyLIZCTTKKPWDGOS-JVBWRSBESA-N
XLogP4.55
TPSA121.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.79
LogP ≤ 54.55
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate?
The IUPAC name of furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate (CID 142440207) is furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate.
What is the SMILES notation for furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate?
The canonical SMILES for furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate is [H]/N=C(\O/C(=N/[H])c1ccco1)c1ccnc(NC(=O)c2cc(Cl)ccc2OC(F)F)c1.
What is the InChIKey of furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate?
The InChIKey is LIZCTTKKPWDGOS-JVBWRSBESA-N. The full InChI is InChI=1S/C19H13ClF2N4O4/c20-11-3-4-13(29-19(21)22)12(9-11)18(27)26-15-8-10(5-6-25-15)16(23)30-17(24)14-2-1-7-28-14/h1-9,19,23-24H,(H,25,26,27)/b23-16-,24-17+.
What are the key properties of furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate?
furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate has a molecular weight of 434.79 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate is sourced from PubChem (CID 142440207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).