N-(oxan-4-ylmethyl)pyridine-2-carboxamide

C12H16N2O2 — CID 68739280

IUPACN-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)c1ccccn1
InChIInChI=1S/C12H16N2O2/c15-12(11-3-1-2-6-13-11)14-9-10-4-7-16-8-5-10/h1-3,6,10H,4-5,7-9H2,(H,14,15)
InChIKeyIVEGGMBPSADITG-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.24
Rot. Bonds3

About N-(oxan-4-ylmethyl)pyridine-2-carboxamide

N-(oxan-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 68739280) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)pyridine-2-carboxamide
PubChem CID68739280
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)c1ccccn1
InChIInChI=1S/C12H16N2O2/c15-12(11-3-1-2-6-13-11)14-9-10-4-7-16-8-5-10/h1-3,6,10H,4-5,7-9H2,(H,14,15)
InChIKeyIVEGGMBPSADITG-UHFFFAOYSA-N
XLogP1.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)pyridine-2-carboxamide (CID 68739280) is N-(oxan-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)pyridine-2-carboxamide is O=C(NCC1CCOCC1)c1ccccn1.
What is the InChIKey of N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is IVEGGMBPSADITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(11-3-1-2-6-13-11)14-9-10-4-7-16-8-5-10/h1-3,6,10H,4-5,7-9H2,(H,14,15).
What are the key properties of N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
N-(oxan-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 68739280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).