N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide

C13H18N2O3 — CID 75418464

IUPACN-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2CCOCC2)cn1
InChIInChI=1S/C13H18N2O3/c1-15(11-3-4-12(17-2)14-9-11)13(16)10-5-7-18-8-6-10/h3-4,9-10H,5-8H2,1-2H3
InChIKeyWMMAEUZNEWWHDV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.48
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide

N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide (PubChem CID 75418464) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide
PubChem CID75418464
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2CCOCC2)cn1
InChIInChI=1S/C13H18N2O3/c1-15(11-3-4-12(17-2)14-9-11)13(16)10-5-7-18-8-6-10/h3-4,9-10H,5-8H2,1-2H3
InChIKeyWMMAEUZNEWWHDV-UHFFFAOYSA-N
XLogP1.48
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide (CID 75418464) is N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide is COc1ccc(N(C)C(=O)C2CCOCC2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide?
The InChIKey is WMMAEUZNEWWHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(11-3-4-12(17-2)14-9-11)13(16)10-5-7-18-8-6-10/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide?
N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide is sourced from PubChem (CID 75418464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).