N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide

C19H23N3O5 — CID 24818263

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]c2)cc1OCC
InChIInChI=1S/C19H23N3O5/c1-4-26-15-8-7-14(10-16(15)27-5-2)21-18(24)12-22(3)19(25)13-6-9-17(23)20-11-13/h6-11H,4-5,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyZCEBUHXNPYECRK-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.88
Rot. Bonds8

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 24818263) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID24818263
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]c2)cc1OCC
InChIInChI=1S/C19H23N3O5/c1-4-26-15-8-7-14(10-16(15)27-5-2)21-18(24)12-22(3)19(25)13-6-9-17(23)20-11-13/h6-11H,4-5,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyZCEBUHXNPYECRK-UHFFFAOYSA-N
XLogP1.88
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
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-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 24818263) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZCEBUHXNPYECRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-4-26-15-8-7-14(10-16(15)27-5-2)21-18(24)12-22(3)19(25)13-6-9-17(23)20-11-13/h6-11H,4-5,12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 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-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24818263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).