N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide

C17H19BrN2O3 — CID 4786419

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C17H19BrN2O3/c1-4-23-16-14(6-5-9-19-16)17(21)20(2)11-12-10-13(18)7-8-15(12)22-3/h5-10H,4,11H2,1-3H3
InChIKeyRMCULSBLKAHLIR-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.52
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide (PubChem CID 4786419) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
PubChem CID4786419
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C17H19BrN2O3/c1-4-23-16-14(6-5-9-19-16)17(21)20(2)11-12-10-13(18)7-8-15(12)22-3/h5-10H,4,11H2,1-3H3
InChIKeyRMCULSBLKAHLIR-UHFFFAOYSA-N
XLogP3.52
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 55579968
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
CID 24544420
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741521
N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 51114491
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
CID 107236575
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045
5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103600356
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide (CID 4786419) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide is CCOc1ncccc1C(=O)N(C)Cc1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The InChIKey is RMCULSBLKAHLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-4-23-16-14(6-5-9-19-16)17(21)20(2)11-12-10-13(18)7-8-15(12)22-3/h5-10H,4,11H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 4786419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).