N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide

C13H19N3O2 — CID 65151983

IUPACN-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2ccc(N)cn2)C1C
InChIInChI=1S/C13H19N3O2/c1-7-8(2)18-9(3)12(7)13(17)16-11-5-4-10(14)6-15-11/h4-9,12H,14H2,1-3H3,(H,15,16,17)
InChIKeyWCSVIPJXCRCQIP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.66
Rot. Bonds2

About N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65151983) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65151983
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2ccc(N)cn2)C1C
InChIInChI=1S/C13H19N3O2/c1-7-8(2)18-9(3)12(7)13(17)16-11-5-4-10(14)6-15-11/h4-9,12H,14H2,1-3H3,(H,15,16,17)
InChIKeyWCSVIPJXCRCQIP-UHFFFAOYSA-N
XLogP1.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65151983) is N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)Nc2ccc(N)cn2)C1C.
What is the InChIKey of N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is WCSVIPJXCRCQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-7-8(2)18-9(3)12(7)13(17)16-11-5-4-10(14)6-15-11/h4-9,12H,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65151983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).