1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one

C16H18N2O2 — CID 115938973

IUPAC1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N(C)c2cccc(OC)c2)cn1
InChIInChI=1S/C16H18N2O2/c1-4-16(19)15-9-8-13(11-17-15)18(2)12-6-5-7-14(10-12)20-3/h5-11H,4H2,1-3H3
InChIKeyPAPMEKNCNPXGOL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.45
Rot. Bonds5

About 1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one

1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one (PubChem CID 115938973) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one
PubChem CID115938973
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N(C)c2cccc(OC)c2)cn1
InChIInChI=1S/C16H18N2O2/c1-4-16(19)15-9-8-13(11-17-15)18(2)12-6-5-7-14(10-12)20-3/h5-11H,4H2,1-3H3
InChIKeyPAPMEKNCNPXGOL-UHFFFAOYSA-N
XLogP3.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938975
6-(1-aminoethyl)-N-(3-methoxyphenyl)-N-methylpyridin-3-amine
CID 83123026
5-N-(3-methoxyphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534075
1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone
CID 83118886
2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide
CID 101352571
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
3-methoxy-N,N-disilylaniline
CID 149149494

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one (CID 115938973) is 1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(N(C)c2cccc(OC)c2)cn1.
What is the InChIKey of 1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one?
The InChIKey is PAPMEKNCNPXGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-16(19)15-9-8-13(11-17-15)18(2)12-6-5-7-14(10-12)20-3/h5-11H,4H2,1-3H3.
What are the key properties of 1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one?
1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one has a molecular weight of 270.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 115938973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).