4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide

C18H20FN3O3 — CID 120939094

IUPAC4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CCOCC1
InChIInChI=1S/C18H20FN3O3/c19-13-1-4-15(5-2-13)25-16-6-3-14(11-21-16)22-17(23)18(12-20)7-9-24-10-8-18/h1-6,11H,7-10,12,20H2,(H,22,23)
InChIKeyNCTZQSJFXRCGGH-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.71
Rot. Bonds5

About 4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide

4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide (PubChem CID 120939094) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide
PubChem CID120939094
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CCOCC1
InChIInChI=1S/C18H20FN3O3/c19-13-1-4-15(5-2-13)25-16-6-3-14(11-21-16)22-17(23)18(12-20)7-9-24-10-8-18/h1-6,11H,7-10,12,20H2,(H,22,23)
InChIKeyNCTZQSJFXRCGGH-UHFFFAOYSA-N
XLogP2.71
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[6-(3-ethylphenoxy)-3-pyridinyl]oxane-4-carboxamide;dihydrochloride
CID 120939703
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849090
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119849089
5-[[4-(aminomethyl)oxane-4-carbonyl]amino]pyridine-2-carboxylic acid
CID 115439810
4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide
CID 120926677
4-(aminomethyl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]oxane-4-carboxamide;hydrochloride
CID 120922910
4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
CID 120920350
1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854
N-[6-(4-methylphenoxy)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 55787731
4-(aminomethyl)-N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120923512
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
1-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 115434828

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide (CID 120939094) is 4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide is NCC1(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is NCTZQSJFXRCGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-13-1-4-15(5-2-13)25-16-6-3-14(11-21-16)22-17(23)18(12-20)7-9-24-10-8-18/h1-6,11H,7-10,12,20H2,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 120939094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).