3-[(6-oxopyrimidin-1-yl)methyl]benzamide

C12H11N3O2 — CID 113257340

IUPAC3-[(6-oxopyrimidin-1-yl)methyl]benzamide
SMILESNC(=O)c1cccc(Cn2cnccc2=O)c1
InChIInChI=1S/C12H11N3O2/c13-12(17)10-3-1-2-9(6-10)7-15-8-14-5-4-11(15)16/h1-6,8H,7H2,(H2,13,17)
InChIKeyVLEKBDDJIKZBME-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.39
Rot. Bonds3

About 3-[(6-oxopyrimidin-1-yl)methyl]benzamide

3-[(6-oxopyrimidin-1-yl)methyl]benzamide (PubChem CID 113257340) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-[(6-oxopyrimidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(6-oxopyrimidin-1-yl)methyl]benzamide
PubChem CID113257340
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-[(6-oxopyrimidin-1-yl)methyl]benzamide
SMILESNC(=O)c1cccc(Cn2cnccc2=O)c1
InChIInChI=1S/C12H11N3O2/c13-12(17)10-3-1-2-9(6-10)7-15-8-14-5-4-11(15)16/h1-6,8H,7H2,(H2,13,17)
InChIKeyVLEKBDDJIKZBME-UHFFFAOYSA-N
XLogP0.39
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
CID 113340193
3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide
CID 145134299
3-[(5-methyltetrazol-2-yl)methyl]benzamide
CID 59058879
3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide
CID 154743427
N-iodo-N-methyl-4-[(6-oxopyrimidin-1-yl)methyl]benzamide
CID 163992406
3-[(4-methylindol-1-yl)methyl]benzamide
CID 116620217
3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzamide
CID 63277077
3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886525
3-(sulfanylmethyl)benzamide
CID 118350806
3-(2-phenylethyl)pyrimidin-4-one
CID 68623942
3-[4-[(6-oxopyrimidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76952602
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
CID 120910733

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxopyrimidin-1-yl)methyl]benzamide?
The IUPAC name of 3-[(6-oxopyrimidin-1-yl)methyl]benzamide (CID 113257340) is 3-[(6-oxopyrimidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-[(6-oxopyrimidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-[(6-oxopyrimidin-1-yl)methyl]benzamide is NC(=O)c1cccc(Cn2cnccc2=O)c1.
What is the InChIKey of 3-[(6-oxopyrimidin-1-yl)methyl]benzamide?
The InChIKey is VLEKBDDJIKZBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-12(17)10-3-1-2-9(6-10)7-15-8-14-5-4-11(15)16/h1-6,8H,7H2,(H2,13,17).
What are the key properties of 3-[(6-oxopyrimidin-1-yl)methyl]benzamide?
3-[(6-oxopyrimidin-1-yl)methyl]benzamide has a molecular weight of 229.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxopyrimidin-1-yl)methyl]benzamide is sourced from PubChem (CID 113257340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).