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

C16H17N3O4 — CID 2449806

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C16H17N3O4/c1-19(16(22)11-3-8-14(20)17-9-11)10-15(21)18-12-4-6-13(23-2)7-5-12/h3-9H,10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOFJPWEMJBXQYID-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.09
Rot. Bonds5

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

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 2449806) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID2449806
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C16H17N3O4/c1-19(16(22)11-3-8-14(20)17-9-11)10-15(21)18-12-4-6-13(23-2)7-5-12/h3-9H,10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOFJPWEMJBXQYID-UHFFFAOYSA-N
XLogP1.09
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 2449806) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OFJPWEMJBXQYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-19(16(22)11-3-8-14(20)17-9-11)10-15(21)18-12-4-6-13(23-2)7-5-12/h3-9H,10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2449806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).