N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide

C10H14BrN3 — CID 154629455

IUPACN'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Br)cnc1C
InChIInChI=1S/C10H14BrN3/c1-4-14(3)7-13-10-5-9(11)6-12-8(10)2/h5-7H,4H2,1-3H3/b13-7+
InChIKeyAYFSFLWLLLGQDD-NTUHNPAUSA-N
MW256.15 g/mol
LogP2.76
Rot. Bonds3

About N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide

N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide (PubChem CID 154629455) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide
PubChem CID154629455
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC NameN'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Br)cnc1C
InChIInChI=1S/C10H14BrN3/c1-4-14(3)7-13-10-5-9(11)6-12-8(10)2/h5-7H,4H2,1-3H3/b13-7+
InChIKeyAYFSFLWLLLGQDD-NTUHNPAUSA-N
XLogP2.76
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-6-[2-(3,5-difluorophenyl)ethoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 90022632
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N'-[5-bromo-2-methyl-6-[(2S)-1-propoxypropan-2-yl]oxy-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 91971354
N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide
CID 67447570
3-azido-5-bromo-2-methylpyridine
CID 151087653
N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 118034862
N'-[5-bromo-6-[(2-ethenyl-3-methylpenta-2,4-dienyl)-methylamino]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 123383300
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'-[2,5-dimethyl-6-[methyl-[(2-methylphenyl)methyl]amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 118034859
N'-[4-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154664941

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide (CID 154629455) is N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(Br)cnc1C.
What is the InChIKey of N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide?
The InChIKey is AYFSFLWLLLGQDD-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-4-14(3)7-13-10-5-9(11)6-12-8(10)2/h5-7H,4H2,1-3H3/b13-7+.
What are the key properties of N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide?
N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide has a molecular weight of 256.15 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-methyl-3-pyridinyl)-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 154629455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).