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

C23H21N5O8 — CID 4079901

IUPAC2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OCC)cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H21N5O8/c1-3-35-14-8-10-16(20(12-14)27(31)32)25-22(29)18-6-5-7-19(24-18)23(30)26-17-11-9-15(36-4-2)13-21(17)28(33)34/h5-13H,3-4H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyZGGWDVGUEONMIE-UHFFFAOYSA-N
MW495.45 g/mol
LogP4.20
Rot. Bonds10

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

2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide (PubChem CID 4079901) has the molecular formula C23H21N5O8 and a molecular weight of 495.45 g/mol. Its IUPAC name is 2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
PubChem CID4079901
Molecular FormulaC23H21N5O8
Molecular Weight495.45 g/mol
Exact Mass495.14
IUPAC Name2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OCC)cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H21N5O8/c1-3-35-14-8-10-16(20(12-14)27(31)32)25-22(29)18-6-5-7-19(24-18)23(30)26-17-11-9-15(36-4-2)13-21(17)28(33)34/h5-13H,3-4H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyZGGWDVGUEONMIE-UHFFFAOYSA-N
XLogP4.20
TPSA175.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 54.20
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

2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
ethyl 6-[(4-methyl-2-nitrophenyl)carbamoyl]pyridine-2-carboxylate
CID 5154245
N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416918
6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
CID 103889560
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
3,4,5-triethoxy-N-(4-ethoxy-2-nitrophenyl)benzamide
CID 2862752
2,5-dichloro-N-(4-ethoxy-2-nitrophenyl)thiophene-3-carboxamide
CID 3143002
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
CID 3375045
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
4-(4-ethoxy-2-nitroanilino)-4-oxobut-2-enoate
CID 7175755
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide (CID 4079901) is 2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide is CCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OCC)cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is ZGGWDVGUEONMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O8/c1-3-35-14-8-10-16(20(12-14)27(31)32)25-22(29)18-6-5-7-19(24-18)23(30)26-17-11-9-15(36-4-2)13-21(17)28(33)34/h5-13H,3-4H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide has a molecular weight of 495.45 g/mol, XLogP of 4.20, 10 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-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 4079901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).