2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane

C17H22ClN3O2 — CID 171659471

IUPAC2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane
SMILESCCC.CNC(=O)COc1cccc(-c2cc(N)ncc2Cl)c1
InChIInChI=1S/C14H14ClN3O2.C3H8/c1-17-14(19)8-20-10-4-2-3-9(5-10)11-6-13(16)18-7-12(11)15;1-3-2/h2-7H,8H2,1H3,(H2,16,18)(H,17,19);3H2,1-2H3
InChIKeyMXACPEDOOONYOW-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.53
Rot. Bonds4

About 2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane

2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane (PubChem CID 171659471) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane.

Molecular Properties

Compound Name2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane
PubChem CID171659471
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane
SMILESCCC.CNC(=O)COc1cccc(-c2cc(N)ncc2Cl)c1
InChIInChI=1S/C14H14ClN3O2.C3H8/c1-17-14(19)8-20-10-4-2-3-9(5-10)11-6-13(16)18-7-12(11)15;1-3-2/h2-7H,8H2,1H3,(H2,16,18)(H,17,19);3H2,1-2H3
InChIKeyMXACPEDOOONYOW-UHFFFAOYSA-N
XLogP3.53
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 91246967
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2,5-dichloro-4-(3-ethoxyphenyl)phenol
CID 107663392
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
N-[2-(methylamino)-2-oxoethoxy]-2-phenoxyacetamide
CID 110495620
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679
2-(3-chlorophenoxy)-N-ethoxyacetamide
CID 60700548
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
2-(3-but-2-ynoxyphenoxy)-N-methylacetamide
CID 75508492
N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide
CID 138724732

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane?
The IUPAC name of 2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane (CID 171659471) is 2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane.
What is the SMILES notation for 2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane?
The canonical SMILES for 2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane is CCC.CNC(=O)COc1cccc(-c2cc(N)ncc2Cl)c1.
What is the InChIKey of 2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane?
The InChIKey is MXACPEDOOONYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2.C3H8/c1-17-14(19)8-20-10-4-2-3-9(5-10)11-6-13(16)18-7-12(11)15;1-3-2/h2-7H,8H2,1H3,(H2,16,18)(H,17,19);3H2,1-2H3.
What are the key properties of 2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane?
2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane has a molecular weight of 335.84 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-5-chloro-4-pyridinyl)phenoxy]-N-methylacetamide;propane is sourced from PubChem (CID 171659471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).