2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide

C16H19N3O2 — CID 155917601

IUPAC2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide
SMILESCC(Oc1cccc(-c2cccnc2N(C)C)c1)C(N)=O
InChIInChI=1S/C16H19N3O2/c1-11(15(17)20)21-13-7-4-6-12(10-13)14-8-5-9-18-16(14)19(2)3/h4-11H,1-3H3,(H2,17,20)
InChIKeyVRBIDRRQZFGRBV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.07
Rot. Bonds5

About 2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide

2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide (PubChem CID 155917601) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide.

Molecular Properties

Compound Name2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide
PubChem CID155917601
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide
SMILESCC(Oc1cccc(-c2cccnc2N(C)C)c1)C(N)=O
InChIInChI=1S/C16H19N3O2/c1-11(15(17)20)21-13-7-4-6-12(10-13)14-8-5-9-18-16(14)19(2)3/h4-11H,1-3H3,(H2,17,20)
InChIKeyVRBIDRRQZFGRBV-UHFFFAOYSA-N
XLogP2.07
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10155760, Example 23
CID 118419711
US10155760, Example 6
CID 118419763
US10155760, Example 19
CID 118419969
US10155760, Example 21
CID 118420000
US10155760, Example 2
CID 118420021
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
US10155760, Example 5
CID 118420335
US10155760, Example 25
CID 118420413
US9902722, Example 7
CID 118429852
US10155760, Example 28
CID 118429921

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide?
The IUPAC name of 2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide (CID 155917601) is 2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide.
What is the SMILES notation for 2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide?
The canonical SMILES for 2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide is CC(Oc1cccc(-c2cccnc2N(C)C)c1)C(N)=O.
What is the InChIKey of 2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide?
The InChIKey is VRBIDRRQZFGRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(15(17)20)21-13-7-4-6-12(10-13)14-8-5-9-18-16(14)19(2)3/h4-11H,1-3H3,(H2,17,20).
What are the key properties of 2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide?
2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide is sourced from PubChem (CID 155917601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).