N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide

C14H14N4O4 — CID 695610

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H14N4O4/c1-2-11(19)16-9-5-3-8(4-6-9)12(20)17-10-7-15-14(22)18-13(10)21/h3-7H,2H2,1H3,(H,16,19)(H,17,20)(H2,15,18,21,22)
InChIKeyYRDWUBKJEMRPLC-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.66
Rot. Bonds4

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide (PubChem CID 695610) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide
PubChem CID695610
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H14N4O4/c1-2-11(19)16-9-5-3-8(4-6-9)12(20)17-10-7-15-14(22)18-13(10)21/h3-7H,2H2,1H3,(H,16,19)(H,17,20)(H2,15,18,21,22)
InChIKeyYRDWUBKJEMRPLC-UHFFFAOYSA-N
XLogP0.66
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide (CID 695610) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide?
The InChIKey is YRDWUBKJEMRPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-2-11(19)16-9-5-3-8(4-6-9)12(20)17-10-7-15-14(22)18-13(10)21/h3-7H,2H2,1H3,(H,16,19)(H,17,20)(H2,15,18,21,22).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide has a molecular weight of 302.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(propanoylamino)benzamide is sourced from PubChem (CID 695610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).