N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

C19H27BrN4 — CID 123383300

IUPACN'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESC=CC(C)=C(C=C)CN(C)c1nc(C)c(/N=C/N(C)CC)cc1Br
InChIInChI=1S/C19H27BrN4/c1-8-14(4)16(9-2)12-24(7)19-17(20)11-18(15(5)22-19)21-13-23(6)10-3/h8-9,11,13H,1-2,10,12H2,3-7H3/b16-14?,21-13+
InChIKeyMNPFMLBIHFDLPA-JVXPBAOTSA-N
MW391.36 g/mol
LogP4.89
Rot. Bonds8

About N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 123383300) has the molecular formula C19H27BrN4 and a molecular weight of 391.36 g/mol. Its IUPAC name is N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
PubChem CID123383300
Molecular FormulaC19H27BrN4
Molecular Weight391.36 g/mol
Exact Mass390.14
IUPAC NameN'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESC=CC(C)=C(C=C)CN(C)c1nc(C)c(/N=C/N(C)CC)cc1Br
InChIInChI=1S/C19H27BrN4/c1-8-14(4)16(9-2)12-24(7)19-17(20)11-18(15(5)22-19)21-13-23(6)10-3/h8-9,11,13H,1-2,10,12H2,3-7H3/b16-14?,21-13+
InChIKeyMNPFMLBIHFDLPA-JVXPBAOTSA-N
XLogP4.89
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[5-[1-(dimethylamino)ethenyl]-2,6-dimethyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 145294582
N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide
CID 154629455
N'-[5-bromo-2-methyl-6-[(2S)-1-propoxypropan-2-yl]oxy-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 91971354
N'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 118034859
N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 118034862
N'-[5-bromo-6-[2-(3,5-difluorophenyl)ethoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 90022632
N'-[5-bromo-6-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 90390542
N'-[5-bromo-6-(4-tert-butylcyclohexyl)oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 71003651
N'-[5-bromo-6-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 71003718
N'-[5-bromo-6-[(3-cyanocyclohexyl)methoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 71003676
N-[[3-[[3-bromo-5-[[ethyl(methyl)amino]methylideneamino]-6-methyl-2-pyridinyl]oxy]phenyl]-ethyl-oxo-λ6-sulfanylidene]cyclobutanecarboxamide
CID 154629452
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149

Frequently Asked Questions

What is the IUPAC name of N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (CID 123383300) is N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is C=CC(C)=C(C=C)CN(C)c1nc(C)c(/N=C/N(C)CC)cc1Br.
What is the InChIKey of N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is MNPFMLBIHFDLPA-JVXPBAOTSA-N. The full InChI is InChI=1S/C19H27BrN4/c1-8-14(4)16(9-2)12-24(7)19-17(20)11-18(15(5)22-19)21-13-23(6)10-3/h8-9,11,13H,1-2,10,12H2,3-7H3/b16-14?,21-13+.
What are the key properties of N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 391.36 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 123383300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).