1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine

C18H21N3O2 — CID 131976942

IUPAC1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine
SMILESC=C(N)N(C(=C)c1cncc(C)c1)c1c(OC)cccc1OC
InChIInChI=1S/C18H21N3O2/c1-12-9-15(11-20-10-12)13(2)21(14(3)19)18-16(22-4)7-6-8-17(18)23-5/h6-11H,2-3,19H2,1,4-5H3
InChIKeyPSJHTAQKFGVAIG-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.31
Rot. Bonds6

About 1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine

1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine (PubChem CID 131976942) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine
PubChem CID131976942
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine
SMILESC=C(N)N(C(=C)c1cncc(C)c1)c1c(OC)cccc1OC
InChIInChI=1S/C18H21N3O2/c1-12-9-15(11-20-10-12)13(2)21(14(3)19)18-16(22-4)7-6-8-17(18)23-5/h6-11H,2-3,19H2,1,4-5H3
InChIKeyPSJHTAQKFGVAIG-UHFFFAOYSA-N
XLogP3.31
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-[1-(5-methyl-3-pyridinyl)ethenyl]-N-prop-1-en-2-ylaniline
CID 126596217
(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105122790
N-(2,6-dimethoxyphenyl)-N'-[(2R,3S)-3-hydroxyhex-4-yn-2-yl]sulfonyl-5-methylpyridine-3-carbohydrazide
CID 142742047
5-methylpyridine-3-carbothioamide
CID 82667995
(3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 103524405
2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105085291
N'-amino-5-methylpyridine-3-carboximidamide
CID 77072547
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
(2-fluoro-6-methoxyphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115374206
(5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate
CID 102878407
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
N'-[(2-isothiocyanato-3-methoxyphenoxy)methyl]-5-methylpyridine-3-carbohydrazide
CID 126561432

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine (CID 131976942) is 1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine is C=C(N)N(C(=C)c1cncc(C)c1)c1c(OC)cccc1OC.
What is the InChIKey of 1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine?
The InChIKey is PSJHTAQKFGVAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-9-15(11-20-10-12)13(2)21(14(3)19)18-16(22-4)7-6-8-17(18)23-5/h6-11H,2-3,19H2,1,4-5H3.
What are the key properties of 1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine?
1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine has a molecular weight of 311.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,6-dimethoxyphenyl)-1-N'-[1-(5-methyl-3-pyridinyl)ethenyl]ethene-1,1-diamine is sourced from PubChem (CID 131976942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).