1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide

C19H21N3O3 — CID 94029267

IUPAC1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1=O
InChIInChI=1S/C19H21N3O3/c1-21-11-9-15(12-18(21)24)19(25)20-16(14-6-3-2-4-7-14)13-22-10-5-8-17(22)23/h2-4,6-7,9,11-12,16H,5,8,10,13H2,1H3,(H,20,25)/t16-/m1/s1
InChIKeyZPKXBSMPVXFSEK-MRXNPFEDSA-N
MW339.40 g/mol
LogP1.48
Rot. Bonds5

About 1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide

1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide (PubChem CID 94029267) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
PubChem CID94029267
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1=O
InChIInChI=1S/C19H21N3O3/c1-21-11-9-15(12-18(21)24)19(25)20-16(14-6-3-2-4-7-14)13-22-10-5-8-17(22)23/h2-4,6-7,9,11-12,16H,5,8,10,13H2,1H3,(H,20,25)/t16-/m1/s1
InChIKeyZPKXBSMPVXFSEK-MRXNPFEDSA-N
XLogP1.48
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide (CID 94029267) is 1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide is Cn1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
The InChIKey is ZPKXBSMPVXFSEK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-11-9-15(12-18(21)24)19(25)20-16(14-6-3-2-4-7-14)13-22-10-5-8-17(22)23/h2-4,6-7,9,11-12,16H,5,8,10,13H2,1H3,(H,20,25)/t16-/m1/s1.
What are the key properties of 1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 94029267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).