N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

C25H19N3O4 — CID 23457364

IUPACN-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2
InChIInChI=1S/C25H19N3O4/c29-22(26-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16)17-11-12-20-18(13-17)14-19-23(30)27-25(31)28-24(19)32-20/h1-13,21H,14H2,(H,26,29)(H2,27,28,30,31)
InChIKeyVQBXSQZHZVLTQP-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.28
Rot. Bonds4

About N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (PubChem CID 23457364) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
PubChem CID23457364
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC NameN-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2
InChIInChI=1S/C25H19N3O4/c29-22(26-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16)17-11-12-20-18(13-17)14-19-23(30)27-25(31)28-24(19)32-20/h1-13,21H,14H2,(H,26,29)(H2,27,28,30,31)
InChIKeyVQBXSQZHZVLTQP-UHFFFAOYSA-N
XLogP3.28
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (CID 23457364) is N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2.
What is the InChIKey of N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is VQBXSQZHZVLTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c29-22(26-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16)17-11-12-20-18(13-17)14-19-23(30)27-25(31)28-24(19)32-20/h1-13,21H,14H2,(H,26,29)(H2,27,28,30,31).
What are the key properties of N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 23457364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).