4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

C17H19N5O2 — CID 51081174

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1ncccn1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H19N5O2/c23-15-3-1-12-22(15)14-6-4-13(5-7-14)16(24)18-10-11-21-17-19-8-2-9-20-17/h2,4-9H,1,3,10-12H2,(H,18,24)(H,19,20,21)
InChIKeyIHKCXOMLKOHNGZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.45
Rot. Bonds6

About 4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide (PubChem CID 51081174) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
PubChem CID51081174
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1ncccn1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H19N5O2/c23-15-3-1-12-22(15)14-6-4-13(5-7-14)16(24)18-10-11-21-17-19-8-2-9-20-17/h2,4-9H,1,3,10-12H2,(H,18,24)(H,19,20,21)
InChIKeyIHKCXOMLKOHNGZ-UHFFFAOYSA-N
XLogP1.45
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
(Z)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 94161781
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55839404
4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399286
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3571977
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 31658784
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 51255829

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide (CID 51081174) is 4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide is O=C(NCCNc1ncccn1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The InChIKey is IHKCXOMLKOHNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-15-3-1-12-22(15)14-6-4-13(5-7-14)16(24)18-10-11-21-17-19-8-2-9-20-17/h2,4-9H,1,3,10-12H2,(H,18,24)(H,19,20,21).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide has a molecular weight of 325.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 51081174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).