4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide

C17H20N4O3 — CID 136567841

IUPAC4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide
SMILESCCc1ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c(O)c1
InChIInChI=1S/C17H20N4O3/c1-2-11-3-4-13(14(22)7-11)17(24)20-12-5-6-21(9-12)15-8-16(23)19-10-18-15/h3-4,7-8,10,12,22H,2,5-6,9H2,1H3,(H,20,24)(H,18,19,23)
InChIKeyVMHWLCPTLIGXJC-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.05
Rot. Bonds4

About 4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide

4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide (PubChem CID 136567841) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide
PubChem CID136567841
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide
SMILESCCc1ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c(O)c1
InChIInChI=1S/C17H20N4O3/c1-2-11-3-4-13(14(22)7-11)17(24)20-12-5-6-21(9-12)15-8-16(23)19-10-18-15/h3-4,7-8,10,12,22H,2,5-6,9H2,1H3,(H,20,24)(H,18,19,23)
InChIKeyVMHWLCPTLIGXJC-UHFFFAOYSA-N
XLogP1.05
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide
CID 166257039
4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136987918
4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957880
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136958068
4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978761
4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989738
4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957515
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137008019
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride
CID 139026681
2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
CID 136571000
5-ethyl-N-[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 75372145

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide (CID 136567841) is 4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide is CCc1ccc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)c(O)c1.
What is the InChIKey of 4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is VMHWLCPTLIGXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-11-3-4-13(14(22)7-11)17(24)20-12-5-6-21(9-12)15-8-16(23)19-10-18-15/h3-4,7-8,10,12,22H,2,5-6,9H2,1H3,(H,20,24)(H,18,19,23).
What are the key properties of 4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide?
4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 136567841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).