N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide

C18H19N3O2 — CID 94198526

IUPACN-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C18H19N3O2/c22-17-9-5-11-21(17)13-16(14-6-2-1-3-7-14)20-18(23)15-8-4-10-19-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2,(H,20,23)/t16-/m1/s1
InChIKeyIGLNWDAWZKCBPV-MRXNPFEDSA-N
MW309.37 g/mol
LogP2.18
Rot. Bonds5

About N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide

N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 94198526) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
PubChem CID94198526
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C18H19N3O2/c22-17-9-5-11-21(17)13-16(14-6-2-1-3-7-14)20-18(23)15-8-4-10-19-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2,(H,20,23)/t16-/m1/s1
InChIKeyIGLNWDAWZKCBPV-MRXNPFEDSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 155960651
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 47043433
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide
CID 94821155
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 47043413
1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide
CID 95139049

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide (CID 94198526) is N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide is O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccnc1.
What is the InChIKey of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is IGLNWDAWZKCBPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17-9-5-11-21(17)13-16(14-6-2-1-3-7-14)20-18(23)15-8-4-10-19-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide?
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 94198526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).