3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine

C11H15N3O — CID 166130778

IUPAC3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine
SMILESC/C=C(\C=N\C)c1nccc(N)c1OC
InChIInChI=1S/C11H15N3O/c1-4-8(7-13-2)10-11(15-3)9(12)5-6-14-10/h4-7H,1-3H3,(H2,12,14)/b8-4+,13-7+
InChIKeyHMIVBYRKMSZAEV-UTAVVSQCSA-N
MW205.26 g/mol
LogP1.78
Rot. Bonds3

About 3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine

3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine (PubChem CID 166130778) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine
PubChem CID166130778
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine
SMILESC/C=C(\C=N\C)c1nccc(N)c1OC
InChIInChI=1S/C11H15N3O/c1-4-8(7-13-2)10-11(15-3)9(12)5-6-14-10/h4-7H,1-3H3,(H2,12,14)/b8-4+,13-7+
InChIKeyHMIVBYRKMSZAEV-UTAVVSQCSA-N
XLogP1.78
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-ethyl-3-methoxy-N-methylpyridine-2-carboxamide
CID 146444937
2-methoxy-4-methyl-3-(2-methyliminoethanimidoyl)aniline
CID 166130603
2-(4-amino-3-methoxy-2-pyridinyl)benzoic acid
CID 122562100
2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine
CID 167589522
methyl 3-amino-4-methoxypyridine-2-carboxylate
CID 146485180
2-amino-3-methoxypyridine-4-carbonitrile
CID 119008988
(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
CID 87801911
(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 118853196
2-(2,4-dimethoxyphenyl)-3-methoxypyridin-4-amine
CID 77093303
2-amino-4-methoxypyridin-3-ol
CID 22175065
2-(4-methoxy-3-methylphenyl)-3-methyliminoprop-1-en-1-amine
CID 149337281
6-(4-methoxyphenyl)quinolin-4-amine
CID 91074771

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine?
The IUPAC name of 3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine (CID 166130778) is 3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine.
What is the SMILES notation for 3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine?
The canonical SMILES for 3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine is C/C=C(\C=N\C)c1nccc(N)c1OC.
What is the InChIKey of 3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine?
The InChIKey is HMIVBYRKMSZAEV-UTAVVSQCSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-8(7-13-2)10-11(15-3)9(12)5-6-14-10/h4-7H,1-3H3,(H2,12,14)/b8-4+,13-7+.
What are the key properties of 3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine?
3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(E)-1-methyliminobut-2-en-2-yl]pyridin-4-amine is sourced from PubChem (CID 166130778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).