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

C17H20N4O4 — CID 136571000

IUPAC2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
SMILESCOCc1cc(=O)[nH]c(N2CCC(NC(=O)c3ccccc3O)C2)n1
InChIInChI=1S/C17H20N4O4/c1-25-10-12-8-15(23)20-17(19-12)21-7-6-11(9-21)18-16(24)13-4-2-3-5-14(13)22/h2-5,8,11,22H,6-7,9-10H2,1H3,(H,18,24)(H,19,20,23)
InChIKeyHFUMDHRWPYAOBK-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.63
Rot. Bonds5

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

2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide (PubChem CID 136571000) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
PubChem CID136571000
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
SMILESCOCc1cc(=O)[nH]c(N2CCC(NC(=O)c3ccccc3O)C2)n1
InChIInChI=1S/C17H20N4O4/c1-25-10-12-8-15(23)20-17(19-12)21-7-6-11(9-21)18-16(24)13-4-2-3-5-14(13)22/h2-5,8,11,22H,6-7,9-10H2,1H3,(H,18,24)(H,19,20,23)
InChIKeyHFUMDHRWPYAOBK-UHFFFAOYSA-N
XLogP0.63
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[4-[[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-yl]carbamate
CID 167951584
tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 135630848
N-[1-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 138022477
1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 164633020
1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 136559547
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 136962376
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135911475
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 136662620
2-hydroxy-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375174
7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 136514268
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide (CID 136571000) is 2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide is COCc1cc(=O)[nH]c(N2CCC(NC(=O)c3ccccc3O)C2)n1.
What is the InChIKey of 2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide?
The InChIKey is HFUMDHRWPYAOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-25-10-12-8-15(23)20-17(19-12)21-7-6-11(9-21)18-16(24)13-4-2-3-5-14(13)22/h2-5,8,11,22H,6-7,9-10H2,1H3,(H,18,24)(H,19,20,23).
What are the key properties of 2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide?
2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 136571000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).