2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C18H19BrN4O3 — CID 46495705

IUPAC2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N/N=C/c2cc(Br)c(OC)c(OC)c2)c1C#N
InChIInChI=1S/C18H19BrN4O3/c1-11-5-13(10-24-2)14(8-20)18(22-11)23-21-9-12-6-15(19)17(26-4)16(7-12)25-3/h5-7,9H,10H2,1-4H3,(H,22,23)/b21-9+
InChIKeyRKXDOWBDPQZFNX-ZVBGSRNCSA-N
MW419.28 g/mol
LogP3.63
Rot. Bonds7

About 2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 46495705) has the molecular formula C18H19BrN4O3 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID46495705
Molecular FormulaC18H19BrN4O3
Molecular Weight419.28 g/mol
Exact Mass418.06
IUPAC Name2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N/N=C/c2cc(Br)c(OC)c(OC)c2)c1C#N
InChIInChI=1S/C18H19BrN4O3/c1-11-5-13(10-24-2)14(8-20)18(22-11)23-21-9-12-6-15(19)17(26-4)16(7-12)25-3/h5-7,9H,10H2,1-4H3,(H,22,23)/b21-9+
InChIKeyRKXDOWBDPQZFNX-ZVBGSRNCSA-N
XLogP3.63
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 4537517
2-[(2Z)-2-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 6158314
2-[2-[[3-bromo-4-[(2-cyanophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 71820444
2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3894925
2-[(2Z)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 135641089
2-[(2Z)-2-[(5-bromo-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 136714309
2-[2-[(5-bromo-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3116309
2-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3976826
4-(methoxymethyl)-6-methyl-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]pyridine-3-carbonitrile
CID 5188586
2-[(2Z)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 6289357
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]acetamide
CID 5440465
2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 5335822

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 46495705) is 2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is COCc1cc(C)nc(N/N=C/c2cc(Br)c(OC)c(OC)c2)c1C#N.
What is the InChIKey of 2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is RKXDOWBDPQZFNX-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H19BrN4O3/c1-11-5-13(10-24-2)14(8-20)18(22-11)23-21-9-12-6-15(19)17(26-4)16(7-12)25-3/h5-7,9H,10H2,1-4H3,(H,22,23)/b21-9+.
What are the key properties of 2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 419.28 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 46495705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).