N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide

C15H14BrClN2O — CID 106832389

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(Br)cc2)cn1
InChIInChI=1S/C15H14BrClN2O/c1-9-7-14(17)13(8-18-9)15(20)19-10(2)11-3-5-12(16)6-4-11/h3-8,10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyPQYDHODRZUYVGU-JTQLQIEISA-N
MW353.65 g/mol
LogP4.30
Rot. Bonds3

About N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide

N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide (PubChem CID 106832389) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
PubChem CID106832389
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(Br)cc2)cn1
InChIInChI=1S/C15H14BrClN2O/c1-9-7-14(17)13(8-18-9)15(20)19-10(2)11-3-5-12(16)6-4-11/h3-8,10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyPQYDHODRZUYVGU-JTQLQIEISA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 81229401
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237023
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225644
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
CID 107869053
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805366
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 115283582
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
CID 106832394

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide (CID 106832389) is N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(Br)cc2)cn1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide?
The InChIKey is PQYDHODRZUYVGU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9-7-14(17)13(8-18-9)15(20)19-10(2)11-3-5-12(16)6-4-11/h3-8,10H,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide has a molecular weight of 353.65 g/mol, XLogP of 4.30, 3 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]-4-chloro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 106832389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).