N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide

C18H19N5O6 — CID 11516913

IUPACN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2cc(OC)c([N+](=O)[O-])cc2OC)cc(N)c1C#N
InChIInChI=1S/C18H19N5O6/c1-4-29-18-11(9-19)12(20)7-16(22-18)21-17(24)6-10-5-15(28-3)13(23(25)26)8-14(10)27-2/h5,7-8H,4,6H2,1-3H3,(H3,20,21,22,24)
InChIKeyHWNQWUTVZUBWMF-UHFFFAOYSA-N
MW401.38 g/mol
LogP2.04
Rot. Bonds8

About N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide (PubChem CID 11516913) has the molecular formula C18H19N5O6 and a molecular weight of 401.38 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide
PubChem CID11516913
Molecular FormulaC18H19N5O6
Molecular Weight401.38 g/mol
Exact Mass401.13
IUPAC NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2cc(OC)c([N+](=O)[O-])cc2OC)cc(N)c1C#N
InChIInChI=1S/C18H19N5O6/c1-4-29-18-11(9-19)12(20)7-16(22-18)21-17(24)6-10-5-15(28-3)13(23(25)26)8-14(10)27-2/h5,7-8H,4,6H2,1-3H3,(H3,20,21,22,24)
InChIKeyHWNQWUTVZUBWMF-UHFFFAOYSA-N
XLogP2.04
TPSA162.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide?
The IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide (CID 11516913) is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide?
The canonical SMILES for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide is CCOc1nc(NC(=O)Cc2cc(OC)c([N+](=O)[O-])cc2OC)cc(N)c1C#N.
What is the InChIKey of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide?
The InChIKey is HWNQWUTVZUBWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O6/c1-4-29-18-11(9-19)12(20)7-16(22-18)21-17(24)6-10-5-15(28-3)13(23(25)26)8-14(10)27-2/h5,7-8H,4,6H2,1-3H3,(H3,20,21,22,24).
What are the key properties of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide?
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide has a molecular weight of 401.38 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 11516913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).