1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C19H21N3O2 — CID 51265881

IUPAC1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2ccc(C)cn2)CC1=O
InChIInChI=1S/C19H21N3O2/c1-3-14-6-4-5-7-16(14)22-12-15(10-18(22)23)19(24)21-17-9-8-13(2)11-20-17/h4-9,11,15H,3,10,12H2,1-2H3,(H,20,21,24)
InChIKeyHBCTYXDIANDHSZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51265881) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51265881
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2ccc(C)cn2)CC1=O
InChIInChI=1S/C19H21N3O2/c1-3-14-6-4-5-7-16(14)22-12-15(10-18(22)23)19(24)21-17-9-8-13(2)11-20-17/h4-9,11,15H,3,10,12H2,1-2H3,(H,20,21,24)
InChIKeyHBCTYXDIANDHSZ-UHFFFAOYSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 51265881) is 1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)Nc2ccc(C)cn2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HBCTYXDIANDHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-14-6-4-5-7-16(14)22-12-15(10-18(22)23)19(24)21-17-9-8-13(2)11-20-17/h4-9,11,15H,3,10,12H2,1-2H3,(H,20,21,24).
What are the key properties of 1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51265881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).