N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

C19H15N3O4 — CID 92648657

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H15N3O4/c23-18(21-13-6-7-15-16(10-13)26-9-8-25-15)14-11-20-17(22-19(14)24)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,23)(H,20,22,24)
InChIKeyIDEYWBLWGIRCQG-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.46
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 92648657) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID92648657
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C19H15N3O4/c23-18(21-13-6-7-15-16(10-13)26-9-8-25-15)14-11-20-17(22-19(14)24)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,23)(H,20,22,24)
InChIKeyIDEYWBLWGIRCQG-UHFFFAOYSA-N
XLogP2.46
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648623
N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648629
6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648652
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648757
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 92648916
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683849
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
CID 110863326
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 18204542
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55755078

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (CID 92648657) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is IDEYWBLWGIRCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-18(21-13-6-7-15-16(10-13)26-9-8-25-15)14-11-20-17(22-19(14)24)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,23)(H,20,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 92648657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).