N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide

C16H13N3O5 — CID 1475727

IUPACN-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide
SMILESCn1c(=O)c2cc(NC(=O)c3ccccc3)c(=O)oc2n(C)c1=O
InChIInChI=1S/C16H13N3O5/c1-18-13(21)10-8-11(15(22)24-14(10)19(2)16(18)23)17-12(20)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,20)
InChIKeyTYEWRSBESMRDNG-UHFFFAOYSA-N
MW327.30 g/mol
LogP0.44
Rot. Bonds2

About N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide

N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide (PubChem CID 1475727) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide
PubChem CID1475727
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC NameN-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide
SMILESCn1c(=O)c2cc(NC(=O)c3ccccc3)c(=O)oc2n(C)c1=O
InChIInChI=1S/C16H13N3O5/c1-18-13(21)10-8-11(15(22)24-14(10)19(2)16(18)23)17-12(20)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,20)
InChIKeyTYEWRSBESMRDNG-UHFFFAOYSA-N
XLogP0.44
TPSA103.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide?
The IUPAC name of N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide (CID 1475727) is N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide?
The canonical SMILES for N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide is Cn1c(=O)c2cc(NC(=O)c3ccccc3)c(=O)oc2n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide?
The InChIKey is TYEWRSBESMRDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-18-13(21)10-8-11(15(22)24-14(10)19(2)16(18)23)17-12(20)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,20).
What are the key properties of N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide?
N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide has a molecular weight of 327.30 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 1475727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).