(2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one

C19H28ClN3O2 — CID 91483326

IUPAC(2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one
SMILESCN[C@@H](CC(C)C)C(=O)N1CC=C(NOCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14(2)11-18(21-3)19(24)23-9-7-17(8-10-23)22-25-13-15-5-4-6-16(20)12-15/h4-7,12,14,18,21-22H,8-11,13H2,1-3H3/t18-/m0/s1
InChIKeyMVHVTKPRTDOGBT-SFHVURJKSA-N
MW365.91 g/mol
LogP3.11
Rot. Bonds8

About (2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one

(2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one (PubChem CID 91483326) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is (2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one
PubChem CID91483326
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name(2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one
SMILESCN[C@@H](CC(C)C)C(=O)N1CC=C(NOCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14(2)11-18(21-3)19(24)23-9-7-17(8-10-23)22-25-13-15-5-4-6-16(20)12-15/h4-7,12,14,18,21-22H,8-11,13H2,1-3H3/t18-/m0/s1
InChIKeyMVHVTKPRTDOGBT-SFHVURJKSA-N
XLogP3.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one?
The IUPAC name of (2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one (CID 91483326) is (2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one.
What is the SMILES notation for (2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one?
The canonical SMILES for (2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one is CN[C@@H](CC(C)C)C(=O)N1CC=C(NOCc2cccc(Cl)c2)CC1.
What is the InChIKey of (2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one?
The InChIKey is MVHVTKPRTDOGBT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-14(2)11-18(21-3)19(24)23-9-7-17(8-10-23)22-25-13-15-5-4-6-16(20)12-15/h4-7,12,14,18,21-22H,8-11,13H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one?
(2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one has a molecular weight of 365.91 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(3-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-2-(methylamino)pentan-1-one is sourced from PubChem (CID 91483326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).