3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide

C16H10BrF3N4O2 — CID 127027984

IUPAC3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)N/N=C/c2ccc(Br)cc2)oc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H10BrF3N4O2/c17-9-3-1-8(2-4-9)7-22-24-14(25)13-12(21)10-5-6-11(16(18,19)20)23-15(10)26-13/h1-7H,21H2,(H,24,25)/b22-7+
InChIKeyJVZQNATYCVEIIC-QPJQQBGISA-N
MW427.18 g/mol
LogP3.96
Rot. Bonds3

About 3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide

3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide (PubChem CID 127027984) has the molecular formula C16H10BrF3N4O2 and a molecular weight of 427.18 g/mol. Its IUPAC name is 3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide
PubChem CID127027984
Molecular FormulaC16H10BrF3N4O2
Molecular Weight427.18 g/mol
Exact Mass425.99
IUPAC Name3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)N/N=C/c2ccc(Br)cc2)oc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H10BrF3N4O2/c17-9-3-1-8(2-4-9)7-22-24-14(25)13-12(21)10-5-6-11(16(18,19)20)23-15(10)26-13/h1-7H,21H2,(H,24,25)/b22-7+
InChIKeyJVZQNATYCVEIIC-QPJQQBGISA-N
XLogP3.96
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.18
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-bromophenyl)methanone
CID 951305
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 661617
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
CID 778172
(3-Amino-6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
CID 44224177
3-Amino-4-methyl-6-phenylfuro[2,3-b]pyridine-2-carbohydrazide
CID 2815090
3-Amino-4,6-diphenylfuro[2,3-b]pyridine-2-carbohydrazide
CID 2815151
3-amino-N'-[(4-fluorophenyl)methylene]-4-(2-furyl)-6-phenylfuro[2,3-b]pyridine-2-carbohydrazide
CID 9583976
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(2,4-difluorophenyl)methanone
CID 44224178
(3-Amino-5-bromofuro[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
CID 54582032
5-[(E)-benzylideneamino]-4-methyl-11-(trifluoromethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 127025509
3-amino-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide
CID 145960354
3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-thiophen-2-yl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide
CID 145961482

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide (CID 127027984) is 3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)N/N=C/c2ccc(Br)cc2)oc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is JVZQNATYCVEIIC-QPJQQBGISA-N. The full InChI is InChI=1S/C16H10BrF3N4O2/c17-9-3-1-8(2-4-9)7-22-24-14(25)13-12(21)10-5-6-11(16(18,19)20)23-15(10)26-13/h1-7H,21H2,(H,24,25)/b22-7+.
What are the key properties of 3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 427.18 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(E)-(4-bromophenyl)methylideneamino]-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 127027984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).