N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide

C14H14BrN3O2 — CID 61292962

IUPACN-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(C)c(N)cn2)c1
InChIInChI=1S/C14H14BrN3O2/c1-8-5-13(17-7-12(8)16)18-14(19)10-6-9(20-2)3-4-11(10)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyAFCXUJQGPQLPNX-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.00
Rot. Bonds3

About N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide

N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide (PubChem CID 61292962) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
PubChem CID61292962
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(C)c(N)cn2)c1
InChIInChI=1S/C14H14BrN3O2/c1-8-5-13(17-7-12(8)16)18-14(19)10-6-9(20-2)3-4-11(10)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyAFCXUJQGPQLPNX-UHFFFAOYSA-N
XLogP3.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
CID 62877597
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide
CID 79736443
N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide
CID 24703033
N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948807
2-amino-5-methoxy-N-(5-trimethylsilyl-2-pyridinyl)benzamide
CID 89316590
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
CID 83166414
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
N-(5-amino-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61292593
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231
2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide
CID 122298027
N-(5-amino-4-methyl-2-pyridinyl)-5-chloro-2-fluorobenzamide
CID 61292772

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide?
The IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide (CID 61292962) is N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide.
What is the SMILES notation for N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide?
The canonical SMILES for N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2cc(C)c(N)cn2)c1.
What is the InChIKey of N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide?
The InChIKey is AFCXUJQGPQLPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-8-5-13(17-7-12(8)16)18-14(19)10-6-9(20-2)3-4-11(10)15/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide?
N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide is sourced from PubChem (CID 61292962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).