N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide

C18H19N3O4 — CID 143910002

IUPACN-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)/N=C(\N)c2cncc(C=O)c2)cc1OCC
InChIInChI=1S/C18H19N3O4/c1-3-24-15-6-5-13(8-16(15)25-4-2)18(23)21-17(19)14-7-12(11-22)9-20-10-14/h5-11H,3-4H2,1-2H3,(H2,19,21,23)
InChIKeyXCYLYYGTCQIJPX-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.24
Rot. Bonds7

About N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide

N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide (PubChem CID 143910002) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide
PubChem CID143910002
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)/N=C(\N)c2cncc(C=O)c2)cc1OCC
InChIInChI=1S/C18H19N3O4/c1-3-24-15-6-5-13(8-16(15)25-4-2)18(23)21-17(19)14-7-12(11-22)9-20-10-14/h5-11H,3-4H2,1-2H3,(H2,19,21,23)
InChIKeyXCYLYYGTCQIJPX-UHFFFAOYSA-N
XLogP2.24
TPSA103.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide
CID 143910203
3,4-diethoxybenzoyl azide
CID 43307138
bis(3,4-diethoxyphenyl)methanone
CID 135325793
N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide
CID 143910129
N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide
CID 143910263
ethyl 3,4-diethoxybenzoate
CID 586407
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
CID 1223156
4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate
CID 4745695
3-(2-ethoxy-4-formylphenoxy)butanamide
CID 123605101
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
1-(3,4-diethoxyphenyl)prop-2-en-1-one
CID 114982504

Frequently Asked Questions

What is the IUPAC name of N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide?
The IUPAC name of N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide (CID 143910002) is N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide?
The canonical SMILES for N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)/N=C(\N)c2cncc(C=O)c2)cc1OCC.
What is the InChIKey of N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide?
The InChIKey is XCYLYYGTCQIJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-24-15-6-5-13(8-16(15)25-4-2)18(23)21-17(19)14-7-12(11-22)9-20-10-14/h5-11H,3-4H2,1-2H3,(H2,19,21,23).
What are the key properties of N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide?
N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide has a molecular weight of 341.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide is sourced from PubChem (CID 143910002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).