(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one

C17H20N2O2 — CID 59772249

IUPAC(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one
SMILESCN[C@@H](Cc1ccc(-c2cccc(OC)c2)nc1)C(C)=O
InChIInChI=1S/C17H20N2O2/c1-12(20)17(18-2)9-13-7-8-16(19-11-13)14-5-4-6-15(10-14)21-3/h4-8,10-11,17-18H,9H2,1-3H3/t17-/m0/s1
InChIKeyBHPQVFAYENAGAT-KRWDZBQOSA-N
MW284.36 g/mol
LogP2.48
Rot. Bonds6

About (3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one

(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one (PubChem CID 59772249) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one.

Molecular Properties

Compound Name(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one
PubChem CID59772249
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one
SMILESCN[C@@H](Cc1ccc(-c2cccc(OC)c2)nc1)C(C)=O
InChIInChI=1S/C17H20N2O2/c1-12(20)17(18-2)9-13-7-8-16(19-11-13)14-5-4-6-15(10-14)21-3/h4-8,10-11,17-18H,9H2,1-3H3/t17-/m0/s1
InChIKeyBHPQVFAYENAGAT-KRWDZBQOSA-N
XLogP2.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one
CID 72557491
(3S)-4-[6-(4-chloro-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one
CID 59772283
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid
CID 131383111
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475
N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 175646893
methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate
CID 166089309
(3S)-3-(methylamino)-4-(4-phenylmethoxyphenyl)butan-2-one
CID 58904369
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide
CID 58904339
2-[[4-hydroxy-1-[[6-(3-methoxyphenyl)-3-pyridinyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177202

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one?
The IUPAC name of (3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one (CID 59772249) is (3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one.
What is the SMILES notation for (3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one?
The canonical SMILES for (3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one is CN[C@@H](Cc1ccc(-c2cccc(OC)c2)nc1)C(C)=O.
What is the InChIKey of (3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one?
The InChIKey is BHPQVFAYENAGAT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(20)17(18-2)9-13-7-8-16(19-11-13)14-5-4-6-15(10-14)21-3/h4-8,10-11,17-18H,9H2,1-3H3/t17-/m0/s1.
What are the key properties of (3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one?
(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one is sourced from PubChem (CID 59772249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).