N-(4-chloro-3-pyridinyl)oxane-3-carboxamide

C11H13ClN2O2 — CID 103745000

IUPACN-(4-chloro-3-pyridinyl)oxane-3-carboxamide
SMILESO=C(Nc1cnccc1Cl)C1CCCOC1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-4-13-6-10(9)14-11(15)8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7H2,(H,14,15)
InChIKeyKZMQXRDRIYHWLC-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.10
Rot. Bonds2

About N-(4-chloro-3-pyridinyl)oxane-3-carboxamide

N-(4-chloro-3-pyridinyl)oxane-3-carboxamide (PubChem CID 103745000) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)oxane-3-carboxamide
PubChem CID103745000
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-(4-chloro-3-pyridinyl)oxane-3-carboxamide
SMILESO=C(Nc1cnccc1Cl)C1CCCOC1
InChIInChI=1S/C11H13ClN2O2/c12-9-3-4-13-6-10(9)14-11(15)8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7H2,(H,14,15)
InChIKeyKZMQXRDRIYHWLC-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)oxane-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)oxane-3-carboxamide (CID 103745000) is N-(4-chloro-3-pyridinyl)oxane-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)oxane-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)oxane-3-carboxamide is O=C(Nc1cnccc1Cl)C1CCCOC1.
What is the InChIKey of N-(4-chloro-3-pyridinyl)oxane-3-carboxamide?
The InChIKey is KZMQXRDRIYHWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-3-4-13-6-10(9)14-11(15)8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7H2,(H,14,15).
What are the key properties of N-(4-chloro-3-pyridinyl)oxane-3-carboxamide?
N-(4-chloro-3-pyridinyl)oxane-3-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)oxane-3-carboxamide is sourced from PubChem (CID 103745000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).