[(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone

C18H17BrN2O — CID 138968528

IUPAC[(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
SMILESN[C@@H]1C=C(c2ccc(Br)cc2)N(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H17BrN2O/c19-15-8-6-13(7-9-15)17-12-16(20)10-11-21(17)18(22)14-4-2-1-3-5-14/h1-9,12,16H,10-11,20H2/t16-/m0/s1
InChIKeyGFYUBDWLHNEZHR-INIZCTEOSA-N
MW357.25 g/mol
LogP3.66
Rot. Bonds2

About [(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone

[(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone (PubChem CID 138968528) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is [(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
PubChem CID138968528
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC Name[(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
SMILESN[C@@H]1C=C(c2ccc(Br)cc2)N(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H17BrN2O/c19-15-8-6-13(7-9-15)17-12-16(20)10-11-21(17)18(22)14-4-2-1-3-5-14/h1-9,12,16H,10-11,20H2/t16-/m0/s1
InChIKeyGFYUBDWLHNEZHR-INIZCTEOSA-N
XLogP3.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(benzylamino)-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
CID 102454450
[(4S)-6-(4-chlorophenyl)-4-hydroxy-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
CID 102488289
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 90584897
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588
4-benzoyl-2-chloromorpholin-3-one
CID 19043816
4-amino-1-benzoylpyrrolidin-2-one
CID 112534683
(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone
CID 101497128
(2-benzyl-5-hydroxypyrazolidin-1-yl)-(4-bromophenyl)methanone
CID 14690322
[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 126776764
(4-bromophenyl)-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]methanone
CID 121163532
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The IUPAC name of [(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone (CID 138968528) is [(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone.
What is the SMILES notation for [(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The canonical SMILES for [(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone is N[C@@H]1C=C(c2ccc(Br)cc2)N(C(=O)c2ccccc2)CC1.
What is the InChIKey of [(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone?
The InChIKey is GFYUBDWLHNEZHR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17BrN2O/c19-15-8-6-13(7-9-15)17-12-16(20)10-11-21(17)18(22)14-4-2-1-3-5-14/h1-9,12,16H,10-11,20H2/t16-/m0/s1.
What are the key properties of [(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone?
[(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone has a molecular weight of 357.25 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone is sourced from PubChem (CID 138968528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).