6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide

C20H15BrN4O3 — CID 155810331

IUPAC6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(Br)cc2)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H15BrN4O3/c1-13-18(10-11-19(23-13)15-4-6-16(21)7-5-15)20(26)24-22-12-14-2-8-17(9-3-14)25(27)28/h2-12H,1H3,(H,24,26)/b22-12+
InChIKeyKVHWJZGOVVDVSH-WSDLNYQXSA-N
MW439.27 g/mol
LogP4.49
Rot. Bonds5

About 6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide

6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 155810331) has the molecular formula C20H15BrN4O3 and a molecular weight of 439.27 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID155810331
Molecular FormulaC20H15BrN4O3
Molecular Weight439.27 g/mol
Exact Mass438.03
IUPAC Name6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(Br)cc2)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H15BrN4O3/c1-13-18(10-11-19(23-13)15-4-6-16(21)7-5-15)20(26)24-22-12-14-2-8-17(9-3-14)25(27)28/h2-12H,1H3,(H,24,26)/b22-12+
InChIKeyKVHWJZGOVVDVSH-WSDLNYQXSA-N
XLogP4.49
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090053
4-[(4-bromobenzoyl)amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5457889
3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 5331629
N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
CID 4230749
2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 2337421
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
1,3-dimethyl-4-nitro-N-[(E)-(4-nitrophenyl)methylideneamino]pyrazole-5-carboxamide
CID 6873486
4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 840676
5-methyl-N-[(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760769
3-(3,4-dimethylphenyl)-N-[(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 3305261
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
3-(4-chlorophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5342962

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide (CID 155810331) is 6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide is Cc1nc(-c2ccc(Br)cc2)ccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is KVHWJZGOVVDVSH-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H15BrN4O3/c1-13-18(10-11-19(23-13)15-4-6-16(21)7-5-15)20(26)24-22-12-14-2-8-17(9-3-14)25(27)28/h2-12H,1H3,(H,24,26)/b22-12+.
What are the key properties of 6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 439.27 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 155810331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).