5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

C17H10BrCl2N3O2 — CID 51042923

IUPAC5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cncc(Br)c1
InChIInChI=1S/C17H10BrCl2N3O2/c18-11-6-10(7-21-8-11)17(24)23-22-9-12-4-5-15(25-12)13-2-1-3-14(19)16(13)20/h1-9H,(H,23,24)/b22-9+
InChIKeyKPTLUVWDYBJRDO-LSFURLLWSA-N
MW439.10 g/mol
LogP5.17
Rot. Bonds4

About 5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 51042923) has the molecular formula C17H10BrCl2N3O2 and a molecular weight of 439.10 g/mol. Its IUPAC name is 5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID51042923
Molecular FormulaC17H10BrCl2N3O2
Molecular Weight439.10 g/mol
Exact Mass436.93
IUPAC Name5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cncc(Br)c1
InChIInChI=1S/C17H10BrCl2N3O2/c18-11-6-10(7-21-8-11)17(24)23-22-9-12-4-5-15(25-12)13-2-1-3-14(19)16(13)20/h1-9H,(H,23,24)/b22-9+
InChIKeyKPTLUVWDYBJRDO-LSFURLLWSA-N
XLogP5.17
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.10
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 2246358
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6862986
5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 5404739
5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-7-iodo-1-benzofuran-2-carboxamide
CID 126020919
methyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9075577
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060910
3-[5-[[(3-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-4-chlorobenzoic acid
CID 4078122
5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
CID 3599810
ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9076133
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 9059991
4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50886171

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide (CID 51042923) is 5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is KPTLUVWDYBJRDO-LSFURLLWSA-N. The full InChI is InChI=1S/C17H10BrCl2N3O2/c18-11-6-10(7-21-8-11)17(24)23-22-9-12-4-5-15(25-12)13-2-1-3-14(19)16(13)20/h1-9H,(H,23,24)/b22-9+.
What are the key properties of 5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 439.10 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 51042923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).