N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide

C17H18N2O2 — CID 53148307

IUPACN-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccnc1-c1ccccc1)C1CCCO1
InChIInChI=1S/C17H18N2O2/c20-17(15-9-5-11-21-15)19-12-14-8-4-10-18-16(14)13-6-2-1-3-7-13/h1-4,6-8,10,15H,5,9,11-12H2,(H,19,20)
InChIKeyPFIRCYXZOUSURD-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.54
Rot. Bonds4

About N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide

N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide (PubChem CID 53148307) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide
PubChem CID53148307
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccnc1-c1ccccc1)C1CCCO1
InChIInChI=1S/C17H18N2O2/c20-17(15-9-5-11-21-15)19-12-14-8-4-10-18-16(14)13-6-2-1-3-7-13/h1-4,6-8,10,15H,5,9,11-12H2,(H,19,20)
InChIKeyPFIRCYXZOUSURD-UHFFFAOYSA-N
XLogP2.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide (CID 53148307) is N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide is O=C(NCc1cccnc1-c1ccccc1)C1CCCO1.
What is the InChIKey of N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide?
The InChIKey is PFIRCYXZOUSURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(15-9-5-11-21-15)19-12-14-8-4-10-18-16(14)13-6-2-1-3-7-13/h1-4,6-8,10,15H,5,9,11-12H2,(H,19,20).
What are the key properties of N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide?
N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-3-pyridinyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 53148307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).