2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide

C21H17N5O8 — CID 3620305

IUPAC2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H17N5O8/c1-33-12-6-8-14(18(10-12)25(29)30)23-20(27)16-4-3-5-17(22-16)21(28)24-15-9-7-13(34-2)11-19(15)26(31)32/h3-11H,1-2H3,(H,23,27)(H,24,28)
InChIKeyNULRCLAZPYDSCA-UHFFFAOYSA-N
MW467.39 g/mol
LogP3.42
Rot. Bonds8

About 2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide (PubChem CID 3620305) has the molecular formula C21H17N5O8 and a molecular weight of 467.39 g/mol. Its IUPAC name is 2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
PubChem CID3620305
Molecular FormulaC21H17N5O8
Molecular Weight467.39 g/mol
Exact Mass467.11
IUPAC Name2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H17N5O8/c1-33-12-6-8-14(18(10-12)25(29)30)23-20(27)16-4-3-5-17(22-16)21(28)24-15-9-7-13(34-2)11-19(15)26(31)32/h3-11H,1-2H3,(H,23,27)(H,24,28)
InChIKeyNULRCLAZPYDSCA-UHFFFAOYSA-N
XLogP3.42
TPSA175.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
CID 103889560
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
N-(4-methoxy-2-nitrophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242142
1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19262186
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
N-(4-methoxy-2-nitrophenyl)-3-methylsulfanylbenzamide
CID 7565243
6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 102437083
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
ethyl 6-[(4-methyl-2-nitrophenyl)carbamoyl]pyridine-2-carboxylate
CID 5154245

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide (CID 3620305) is 2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide is COc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is NULRCLAZPYDSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O8/c1-33-12-6-8-14(18(10-12)25(29)30)23-20(27)16-4-3-5-17(22-16)21(28)24-15-9-7-13(34-2)11-19(15)26(31)32/h3-11H,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide has a molecular weight of 467.39 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 3620305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).