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

C16H16BrFN2O2 — CID 55579968

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFN2O2/c1-3-22-15-13(5-4-8-19-15)16(21)20(2)10-11-9-12(17)6-7-14(11)18/h4-9H,3,10H2,1-2H3
InChIKeyWVPNOSCMXLSZDQ-UHFFFAOYSA-N
MW367.22 g/mol
LogP3.65
Rot. Bonds5

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

N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide (PubChem CID 55579968) has the molecular formula C16H16BrFN2O2 and a molecular weight of 367.22 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
PubChem CID55579968
Molecular FormulaC16H16BrFN2O2
Molecular Weight367.22 g/mol
Exact Mass366.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFN2O2/c1-3-22-15-13(5-4-8-19-15)16(21)20(2)10-11-9-12(17)6-7-14(11)18/h4-9H,3,10H2,1-2H3
InChIKeyWVPNOSCMXLSZDQ-UHFFFAOYSA-N
XLogP3.65
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 4786419
N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 51114491
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 55687965
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
CID 24544420
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 2468311
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53184947
(2S,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,3-dimethylpentanamide
CID 166372216
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide (CID 55579968) is N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide is CCOc1ncccc1C(=O)N(C)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
The InChIKey is WVPNOSCMXLSZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O2/c1-3-22-15-13(5-4-8-19-15)16(21)20(2)10-11-9-12(17)6-7-14(11)18/h4-9H,3,10H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide has a molecular weight of 367.22 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 55579968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).