N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide

C19H22FN3O3 — CID 46844643

IUPACN-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide
SMILESCCN(C(=O)N1CC(Oc2cccc(F)c2C)C1)c1ccc(OC)nc1
InChIInChI=1S/C19H22FN3O3/c1-4-23(14-8-9-18(25-3)21-10-14)19(24)22-11-15(12-22)26-17-7-5-6-16(20)13(17)2/h5-10,15H,4,11-12H2,1-3H3
InChIKeyOXVKAENYXSMWHO-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.25
Rot. Bonds5

About N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide

N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide (PubChem CID 46844643) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide
PubChem CID46844643
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide
SMILESCCN(C(=O)N1CC(Oc2cccc(F)c2C)C1)c1ccc(OC)nc1
InChIInChI=1S/C19H22FN3O3/c1-4-23(14-8-9-18(25-3)21-10-14)19(24)22-11-15(12-22)26-17-7-5-6-16(20)13(17)2/h5-10,15H,4,11-12H2,1-3H3
InChIKeyOXVKAENYXSMWHO-UHFFFAOYSA-N
XLogP3.25
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide?
The IUPAC name of N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide (CID 46844643) is N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide is CCN(C(=O)N1CC(Oc2cccc(F)c2C)C1)c1ccc(OC)nc1.
What is the InChIKey of N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide?
The InChIKey is OXVKAENYXSMWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-4-23(14-8-9-18(25-3)21-10-14)19(24)22-11-15(12-22)26-17-7-5-6-16(20)13(17)2/h5-10,15H,4,11-12H2,1-3H3.
What are the key properties of N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide?
N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-fluoro-2-methylphenoxy)-N-(6-methoxy-3-pyridinyl)azetidine-1-carboxamide is sourced from PubChem (CID 46844643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).