3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide

C18H20N4O2 — CID 155960651

IUPAC3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
SMILESNc1cnccc1C(=O)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C18H20N4O2/c19-15-11-20-9-8-14(15)18(24)21-16(13-5-2-1-3-6-13)12-22-10-4-7-17(22)23/h1-3,5-6,8-9,11,16H,4,7,10,12,19H2,(H,21,24)
InChIKeyNRZIWKYLZJLJAQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.76
Rot. Bonds5

About 3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide

3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide (PubChem CID 155960651) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
PubChem CID155960651
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
SMILESNc1cnccc1C(=O)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C18H20N4O2/c19-15-11-20-9-8-14(15)18(24)21-16(13-5-2-1-3-6-13)12-22-10-4-7-17(22)23/h1-3,5-6,8-9,11,16H,4,7,10,12,19H2,(H,21,24)
InChIKeyNRZIWKYLZJLJAQ-UHFFFAOYSA-N
XLogP1.76
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 47043433
2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide
CID 94821155
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
2-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 119719349
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 87003255

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide (CID 155960651) is 3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide is Nc1cnccc1C(=O)NC(CN1CCCC1=O)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
The InChIKey is NRZIWKYLZJLJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-15-11-20-9-8-14(15)18(24)21-16(13-5-2-1-3-6-13)12-22-10-4-7-17(22)23/h1-3,5-6,8-9,11,16H,4,7,10,12,19H2,(H,21,24).
What are the key properties of 3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide?
3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 155960651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).