4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide

C14H15N3O2 — CID 83123833

IUPAC4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide
SMILESC[C@H](N)c1ccc(Oc2ccc(C(N)=O)cc2)cn1
InChIInChI=1S/C14H15N3O2/c1-9(15)13-7-6-12(8-17-13)19-11-4-2-10(3-5-11)14(16)18/h2-9H,15H2,1H3,(H2,16,18)/t9-/m0/s1
InChIKeyZDFMEZDQAJZJDP-VIFPVBQESA-N
MW257.29 g/mol
LogP1.99
Rot. Bonds4

About 4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide

4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide (PubChem CID 83123833) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide
PubChem CID83123833
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide
SMILESC[C@H](N)c1ccc(Oc2ccc(C(N)=O)cc2)cn1
InChIInChI=1S/C14H15N3O2/c1-9(15)13-7-6-12(8-17-13)19-11-4-2-10(3-5-11)14(16)18/h2-9H,15H2,1H3,(H2,16,18)/t9-/m0/s1
InChIKeyZDFMEZDQAJZJDP-VIFPVBQESA-N
XLogP1.99
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
2-(5-phenoxy-2-pyridinyl)propanamide
CID 164734618
4-(4-carbamoylphenoxy)benzamide
CID 156597124
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
4-[(6-cyano-3-pyridinyl)oxy]benzamide
CID 115487898
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile
CID 83126884
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
6-propan-2-ylpyridine-3-carboxamide
CID 821161
(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127048
(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127124
(1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine
CID 83123599

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide?
The IUPAC name of 4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide (CID 83123833) is 4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide is C[C@H](N)c1ccc(Oc2ccc(C(N)=O)cc2)cn1.
What is the InChIKey of 4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide?
The InChIKey is ZDFMEZDQAJZJDP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(15)13-7-6-12(8-17-13)19-11-4-2-10(3-5-11)14(16)18/h2-9H,15H2,1H3,(H2,16,18)/t9-/m0/s1.
What are the key properties of 4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide?
4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide has a molecular weight of 257.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide is sourced from PubChem (CID 83123833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).