N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C19H15N3O4 — CID 122302417

IUPACN-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)c1cccc2c1OCCO2
InChIInChI=1S/C19H15N3O4/c23-18(15-7-4-8-16-17(15)25-10-9-24-16)22-13-11-20-19(21-12-13)26-14-5-2-1-3-6-14/h1-8,11-12H,9-10H2,(H,22,23)
InChIKeyKAHXFJCRNOYNSH-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.29
Rot. Bonds4

About N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 122302417) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID122302417
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)c1cccc2c1OCCO2
InChIInChI=1S/C19H15N3O4/c23-18(15-7-4-8-16-17(15)25-10-9-24-16)22-13-11-20-19(21-12-13)26-14-5-2-1-3-6-14/h1-8,11-12H,9-10H2,(H,22,23)
InChIKeyKAHXFJCRNOYNSH-UHFFFAOYSA-N
XLogP3.29
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122300077
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52773243
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699600
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
2-(difluoromethylsulfonyl)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302400
N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122302367
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193
methyl 3-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)benzoate
CID 110699611

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 122302417) is N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(Nc1cnc(Oc2ccccc2)nc1)c1cccc2c1OCCO2.
What is the InChIKey of N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is KAHXFJCRNOYNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-18(15-7-4-8-16-17(15)25-10-9-24-16)22-13-11-20-19(21-12-13)26-14-5-2-1-3-6-14/h1-8,11-12H,9-10H2,(H,22,23).
What are the key properties of N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxypyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 122302417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).