N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide

C16H16BrClN2O — CID 107869123

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc(Cl)n1
InChIInChI=1S/C16H16BrClN2O/c1-3-14-8-12(9-15(18)20-14)16(21)19-10(2)11-4-6-13(17)7-5-11/h4-10H,3H2,1-2H3,(H,19,21)/t10-/m0/s1
InChIKeyJGZYGWYVLOSVNZ-JTQLQIEISA-N
MW367.67 g/mol
LogP4.55
Rot. Bonds4

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide (PubChem CID 107869123) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide
PubChem CID107869123
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc(Cl)n1
InChIInChI=1S/C16H16BrClN2O/c1-3-14-8-12(9-15(18)20-14)16(21)19-10(2)11-4-6-13(17)7-5-11/h4-10H,3H2,1-2H3,(H,19,21)/t10-/m0/s1
InChIKeyJGZYGWYVLOSVNZ-JTQLQIEISA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide
CID 107864079
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 107862756
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
2-chloro-6-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 103108307
N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 107582987
2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 84575899
2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 113493444
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762
2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 106156530

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide (CID 107869123) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide is CCc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc(Cl)n1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide?
The InChIKey is JGZYGWYVLOSVNZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-3-14-8-12(9-15(18)20-14)16(21)19-10(2)11-4-6-13(17)7-5-11/h4-10H,3H2,1-2H3,(H,19,21)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide has a molecular weight of 367.67 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide is sourced from PubChem (CID 107869123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).