1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide

C19H21N3O3 — CID 131888969

IUPAC1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(N3C(=O)CCC3C)cc2)cc1=O
InChIInChI=1S/C19H21N3O3/c1-3-21-11-10-14(12-18(21)24)19(25)20-15-5-7-16(8-6-15)22-13(2)4-9-17(22)23/h5-8,10-13H,3-4,9H2,1-2H3,(H,20,25)
InChIKeyNBEDSQWWLUJVKZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.64
Rot. Bonds4

About 1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide

1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide (PubChem CID 131888969) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide
PubChem CID131888969
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(N3C(=O)CCC3C)cc2)cc1=O
InChIInChI=1S/C19H21N3O3/c1-3-21-11-10-14(12-18(21)24)19(25)20-15-5-7-16(8-6-15)22-13(2)4-9-17(22)23/h5-8,10-13H,3-4,9H2,1-2H3,(H,20,25)
InChIKeyNBEDSQWWLUJVKZ-UHFFFAOYSA-N
XLogP2.64
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide (CID 131888969) is 1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide is CCn1ccc(C(=O)Nc2ccc(N3C(=O)CCC3C)cc2)cc1=O.
What is the InChIKey of 1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide?
The InChIKey is NBEDSQWWLUJVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-21-11-10-14(12-18(21)24)19(25)20-15-5-7-16(8-6-15)22-13(2)4-9-17(22)23/h5-8,10-13H,3-4,9H2,1-2H3,(H,20,25).
What are the key properties of 1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide?
1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 131888969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).