N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide

C21H28BrN7O2 — CID 160803686

IUPACN'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Br)c(=O)[nH]c1C.CCN(C)/C=N/c1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C11H14N4O.C10H14BrN3O/c1-4-15(3)7-13-10-5-9(6-12)11(16)14-8(10)2;1-4-14(3)6-12-9-5-8(11)10(15)13-7(9)2/h5,7H,4H2,1-3H3,(H,14,16);5-6H,4H2,1-3H3,(H,13,15)/b13-7+;12-6+
InChIKeySDKIESZOYPFWLE-HOSGKFJBSA-N
MW490.41 g/mol
LogP3.22
Rot. Bonds6

About N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide

N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide (PubChem CID 160803686) has the molecular formula C21H28BrN7O2 and a molecular weight of 490.41 g/mol. Its IUPAC name is N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
PubChem CID160803686
Molecular FormulaC21H28BrN7O2
Molecular Weight490.41 g/mol
Exact Mass489.15
IUPAC NameN'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Br)c(=O)[nH]c1C.CCN(C)/C=N/c1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C11H14N4O.C10H14BrN3O/c1-4-15(3)7-13-10-5-9(6-12)11(16)14-8(10)2;1-4-14(3)6-12-9-5-8(11)10(15)13-7(9)2/h5,7H,4H2,1-3H3,(H,14,16);5-6H,4H2,1-3H3,(H,13,15)/b13-7+;12-6+
InChIKeySDKIESZOYPFWLE-HOSGKFJBSA-N
XLogP3.22
TPSA120.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide (CID 160803686) is N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(Br)c(=O)[nH]c1C.CCN(C)/C=N/c1cc(C#N)c(=O)[nH]c1C.
What is the InChIKey of N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?
The InChIKey is SDKIESZOYPFWLE-HOSGKFJBSA-N. The full InChI is InChI=1S/C11H14N4O.C10H14BrN3O/c1-4-15(3)7-13-10-5-9(6-12)11(16)14-8(10)2;1-4-14(3)6-12-9-5-8(11)10(15)13-7(9)2/h5,7H,4H2,1-3H3,(H,14,16);5-6H,4H2,1-3H3,(H,13,15)/b13-7+;12-6+.
What are the key properties of N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?
N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide has a molecular weight of 490.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 160803686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).