N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide

C17H19N3O3 — CID 143910129

IUPACN-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)/N=C(\N)c2ccncc2)c(OCC)c1
InChIInChI=1S/C17H19N3O3/c1-3-22-13-5-6-14(15(11-13)23-4-2)17(21)20-16(18)12-7-9-19-10-8-12/h5-11H,3-4H2,1-2H3,(H2,18,20,21)
InChIKeyDSCBRTUAUVDUQR-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.42
Rot. Bonds6

About N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide

N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide (PubChem CID 143910129) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide
PubChem CID143910129
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)/N=C(\N)c2ccncc2)c(OCC)c1
InChIInChI=1S/C17H19N3O3/c1-3-22-13-5-6-14(15(11-13)23-4-2)17(21)20-16(18)12-7-9-19-10-8-12/h5-11H,3-4H2,1-2H3,(H2,18,20,21)
InChIKeyDSCBRTUAUVDUQR-UHFFFAOYSA-N
XLogP2.42
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[amino(pyridin-1-ium-4-yl)methylidene]-4-ethoxy-2-hydroxybenzamide
CID 143910015
2,4-diethoxybenzamide
CID 17145726
N'-(4-ethoxyphenyl)pyridine-4-carboximidamide
CID 12826054
2,4-diethoxybenzoate
CID 6951194
N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide
CID 143910071
1-(2,4-diethoxyphenyl)-2,2,2-trifluoroethanone
CID 83952962
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
2,2-dibromo-1-(2,4-diethoxyphenyl)ethanone
CID 166607863
N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide
CID 143910002
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
[(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate
CID 6250549

Frequently Asked Questions

What is the IUPAC name of N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide?
The IUPAC name of N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide (CID 143910129) is N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide.
What is the SMILES notation for N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide?
The canonical SMILES for N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide is CCOc1ccc(C(=O)/N=C(\N)c2ccncc2)c(OCC)c1.
What is the InChIKey of N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide?
The InChIKey is DSCBRTUAUVDUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-22-13-5-6-14(15(11-13)23-4-2)17(21)20-16(18)12-7-9-19-10-8-12/h5-11H,3-4H2,1-2H3,(H2,18,20,21).
What are the key properties of N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide?
N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide has a molecular weight of 313.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide is sourced from PubChem (CID 143910129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).