N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide

C18H20N2O2 — CID 154843725

IUPACN-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide
SMILESCc1cc(NC(=O)C2COCC2c2ccccc2)cnc1C
InChIInChI=1S/C18H20N2O2/c1-12-8-15(9-19-13(12)2)20-18(21)17-11-22-10-16(17)14-6-4-3-5-7-14/h3-9,16-17H,10-11H2,1-2H3,(H,20,21)
InChIKeyYLPLHRBSAXXBOQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.07
Rot. Bonds3

About N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide

N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide (PubChem CID 154843725) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide
PubChem CID154843725
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide
SMILESCc1cc(NC(=O)C2COCC2c2ccccc2)cnc1C
InChIInChI=1S/C18H20N2O2/c1-12-8-15(9-19-13(12)2)20-18(21)17-11-22-10-16(17)14-6-4-3-5-7-14/h3-9,16-17H,10-11H2,1-2H3,(H,20,21)
InChIKeyYLPLHRBSAXXBOQ-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide?
The IUPAC name of N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide (CID 154843725) is N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide is Cc1cc(NC(=O)C2COCC2c2ccccc2)cnc1C.
What is the InChIKey of N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide?
The InChIKey is YLPLHRBSAXXBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-8-15(9-19-13(12)2)20-18(21)17-11-22-10-16(17)14-6-4-3-5-7-14/h3-9,16-17H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide?
N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-3-pyridinyl)-4-phenyloxolane-3-carboxamide is sourced from PubChem (CID 154843725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).