4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione

C15H17F2NO3 — CID 58187424

IUPAC4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESO=C1c2c(CCCC3CC3)cc(=O)oc2CCN1C(F)F
InChIInChI=1S/C15H17F2NO3/c16-15(17)18-7-6-11-13(14(18)20)10(8-12(19)21-11)3-1-2-9-4-5-9/h8-9,15H,1-7H2
InChIKeyNKPMCSQAERXOQG-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.59
Rot. Bonds5

About 4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione

4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187424) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187424
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESO=C1c2c(CCCC3CC3)cc(=O)oc2CCN1C(F)F
InChIInChI=1S/C15H17F2NO3/c16-15(17)18-7-6-11-13(14(18)20)10(8-12(19)21-11)3-1-2-9-4-5-9/h8-9,15H,1-7H2
InChIKeyNKPMCSQAERXOQG-UHFFFAOYSA-N
XLogP2.59
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187329
4-(3-cyclopropylpropyl)-6-(1-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187396
4-(3-Cyclopropylpropyl)-6-(fluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 58187404
4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187560
4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187606
4-(3-cyclopropylpropyl)-6-(fluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187726
4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317038
4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317065
4-(3-Cyclopropylpropyl)-6-(1-fluoroethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 58317079
4-butyl-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317080
4-(3-cyclopropylpropyl)-6-(difluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317205
4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 123859121

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 58187424) is 4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione is O=C1c2c(CCCC3CC3)cc(=O)oc2CCN1C(F)F.
What is the InChIKey of 4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is NKPMCSQAERXOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-15(17)18-7-6-11-13(14(18)20)10(8-12(19)21-11)3-1-2-9-4-5-9/h8-9,15H,1-7H2.
What are the key properties of 4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione?
4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 297.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).