N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide

C14H13BrClN3O2 — CID 139691102

IUPACN-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide
SMILESCOc1cc(C)c(NC(=O)Cc2cccnc2Cl)c(Br)n1
InChIInChI=1S/C14H13BrClN3O2/c1-8-6-11(21-2)19-13(15)12(8)18-10(20)7-9-4-3-5-17-14(9)16/h3-6H,7H2,1-2H3,(H,18,20)
InChIKeyIIMCYNVMXXDZFN-UHFFFAOYSA-N
MW370.63 g/mol
LogP3.39
Rot. Bonds4

About N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide

N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide (PubChem CID 139691102) has the molecular formula C14H13BrClN3O2 and a molecular weight of 370.63 g/mol. Its IUPAC name is N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide
PubChem CID139691102
Molecular FormulaC14H13BrClN3O2
Molecular Weight370.63 g/mol
Exact Mass368.99
IUPAC NameN-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide
SMILESCOc1cc(C)c(NC(=O)Cc2cccnc2Cl)c(Br)n1
InChIInChI=1S/C14H13BrClN3O2/c1-8-6-11(21-2)19-13(15)12(8)18-10(20)7-9-4-3-5-17-14(9)16/h3-6H,7H2,1-2H3,(H,18,20)
InChIKeyIIMCYNVMXXDZFN-UHFFFAOYSA-N
XLogP3.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide
CID 139691105
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(2-methylphenyl)acetamide
CID 103738379
2-(4-bromo-2-methoxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 174683330
methyl 2-[(2-chloro-3-pyridinyl)methylsulfanyl]acetate
CID 62464482
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510840
2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide
CID 126836207
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 934072
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
N-(3,5-dimethylphenyl)-2-quinolin-8-ylacetamide
CID 51307005
2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599417
methyl (2S)-2-[(2-chloro-3-pyridinyl)methylamino]-2-(2,5-difluorophenyl)propanoate
CID 95249859

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide (CID 139691102) is N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide is COc1cc(C)c(NC(=O)Cc2cccnc2Cl)c(Br)n1.
What is the InChIKey of N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is IIMCYNVMXXDZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O2/c1-8-6-11(21-2)19-13(15)12(8)18-10(20)7-9-4-3-5-17-14(9)16/h3-6H,7H2,1-2H3,(H,18,20).
What are the key properties of N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide?
N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 370.63 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-methoxy-4-methyl-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 139691102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).