N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

C19H23N3O4 — CID 9438872

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccncc2)cc1OCC
InChIInChI=1S/C19H23N3O4/c1-4-25-16-7-6-15(12-17(16)26-5-2)21-18(23)13-22(3)19(24)14-8-10-20-11-9-14/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyPXGPUONLSIWXFO-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.59
Rot. Bonds8

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (PubChem CID 9438872) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
PubChem CID9438872
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccncc2)cc1OCC
InChIInChI=1S/C19H23N3O4/c1-4-25-16-7-6-15(12-17(16)26-5-2)21-18(23)13-22(3)19(24)14-8-10-20-11-9-14/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyPXGPUONLSIWXFO-UHFFFAOYSA-N
XLogP2.59
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (CID 9438872) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2ccncc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is PXGPUONLSIWXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-25-16-7-6-15(12-17(16)26-5-2)21-18(23)13-22(3)19(24)14-8-10-20-11-9-14/h6-12H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 9438872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).