N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C16H15N3O3 — CID 16953504

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ncnc2c1CCC2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15N3O3/c20-16(10-4-5-13-14(8-10)22-7-6-21-13)19-15-11-2-1-3-12(11)17-9-18-15/h4-5,8-9H,1-3,6-7H2,(H,17,18,19,20)
InChIKeyVLZUZPUSKTYSCK-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.99
Rot. Bonds2

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 16953504) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID16953504
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ncnc2c1CCC2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15N3O3/c20-16(10-4-5-13-14(8-10)22-7-6-21-13)19-15-11-2-1-3-12(11)17-9-18-15/h4-5,8-9H,1-3,6-7H2,(H,17,18,19,20)
InChIKeyVLZUZPUSKTYSCK-UHFFFAOYSA-N
XLogP1.99
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

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Related Compounds

N-(3-methyl-2-pyridinyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 17394587
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 16953467
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26516166
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708628
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methylsulfanylbenzamide
CID 16953555
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 802900
N-(4-bromo-2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5346241
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4513583
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2971151
N-quinoxalin-6-yl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 4898801
N-(5-acetamido-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 166209984

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 16953504) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ncnc2c1CCC2)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is VLZUZPUSKTYSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-16(10-4-5-13-14(8-10)22-7-6-21-13)19-15-11-2-1-3-12(11)17-9-18-15/h4-5,8-9H,1-3,6-7H2,(H,17,18,19,20).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 16953504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).