N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C11H14N2O2 — CID 2964204

IUPACN-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccccn1
InChIInChI=1S/C11H14N2O2/c14-11(10-5-1-2-6-12-10)13-8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2,(H,13,14)
InChIKeySXSPPGZKJKBIAU-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.99
Rot. Bonds3

About N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 2964204) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID2964204
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccccn1
InChIInChI=1S/C11H14N2O2/c14-11(10-5-1-2-6-12-10)13-8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2,(H,13,14)
InChIKeySXSPPGZKJKBIAU-UHFFFAOYSA-N
XLogP0.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 2964204) is N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCC1CCCO1)c1ccccn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is SXSPPGZKJKBIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(10-5-1-2-6-12-10)13-8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2,(H,13,14).
What are the key properties of N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 2964204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).