(Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine

C18H21N3O2 — CID 163587116

IUPAC(Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine
SMILESC=N/C=C\N(C)Cc1ccc(-c2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C18H21N3O2/c1-19-9-10-21(2)13-14-5-7-16(20-12-14)15-6-8-17(22-3)18(11-15)23-4/h5-12H,1,13H2,2-4H3/b10-9-
InChIKeyGMKGLZZJLQSWBB-KTKRTIGZSA-N
MW311.39 g/mol
LogP3.37
Rot. Bonds7

About (Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine

(Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine (PubChem CID 163587116) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine.

Molecular Properties

Compound Name(Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine
PubChem CID163587116
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine
SMILESC=N/C=C\N(C)Cc1ccc(-c2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C18H21N3O2/c1-19-9-10-21(2)13-14-5-7-16(20-12-14)15-6-8-17(22-3)18(11-15)23-4/h5-12H,1,13H2,2-4H3/b10-9-
InChIKeyGMKGLZZJLQSWBB-KTKRTIGZSA-N
XLogP3.37
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol
CID 117001680
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
1-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-(methylamino)propan-2-one
CID 70320351
6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde
CID 82294072
5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
CID 116977083
methyl 8-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]-8-oxooctanoate
CID 58982195
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine?
The IUPAC name of (Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine (CID 163587116) is (Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine.
What is the SMILES notation for (Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine?
The canonical SMILES for (Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine is C=N/C=C\N(C)Cc1ccc(-c2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of (Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine?
The InChIKey is GMKGLZZJLQSWBB-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-19-9-10-21(2)13-14-5-7-16(20-12-14)15-6-8-17(22-3)18(11-15)23-4/h5-12H,1,13H2,2-4H3/b10-9-.
What are the key properties of (Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine?
(Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine has a molecular weight of 311.39 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-N-methyl-2-(methylideneamino)ethenamine is sourced from PubChem (CID 163587116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).