5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide

C15H14Br2N2O2 — CID 8962937

IUPAC5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cncc(Br)c2)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-9(10-3-4-14(21-2)13(17)6-10)19-15(20)11-5-12(16)8-18-7-11/h3-9H,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyOVNILQMSPCGBGS-SECBINFHSA-N
MW414.10 g/mol
LogP4.11
Rot. Bonds4

About 5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide

5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 8962937) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID8962937
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cncc(Br)c2)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-9(10-3-4-14(21-2)13(17)6-10)19-15(20)11-5-12(16)8-18-7-11/h3-9H,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyOVNILQMSPCGBGS-SECBINFHSA-N
XLogP4.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 40881028
5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 51292691
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763516
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962788

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 8962937) is 5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cncc(Br)c2)cc1Br.
What is the InChIKey of 5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is OVNILQMSPCGBGS-SECBINFHSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-9(10-3-4-14(21-2)13(17)6-10)19-15(20)11-5-12(16)8-18-7-11/h3-9H,1-2H3,(H,19,20)/t9-/m1/s1.
What are the key properties of 5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 414.10 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 8962937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).