(2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide

C15H22BrN3O3 — CID 153294819

IUPAC(2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide
SMILESC[C@H](N)C(=O)NC1CCC(Oc2cc(=O)n(C)cc2Br)CC1
InChIInChI=1S/C15H22BrN3O3/c1-9(17)15(21)18-10-3-5-11(6-4-10)22-13-7-14(20)19(2)8-12(13)16/h7-11H,3-6,17H2,1-2H3,(H,18,21)/t9-,10?,11?/m0/s1
InChIKeyZPOIKDHUKGEEJN-WHXUTIOJSA-N
MW372.26 g/mol
LogP1.30
Rot. Bonds4

About (2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide

(2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide (PubChem CID 153294819) has the molecular formula C15H22BrN3O3 and a molecular weight of 372.26 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide
PubChem CID153294819
Molecular FormulaC15H22BrN3O3
Molecular Weight372.26 g/mol
Exact Mass371.08
IUPAC Name(2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide
SMILESC[C@H](N)C(=O)NC1CCC(Oc2cc(=O)n(C)cc2Br)CC1
InChIInChI=1S/C15H22BrN3O3/c1-9(17)15(21)18-10-3-5-11(6-4-10)22-13-7-14(20)19(2)8-12(13)16/h7-11H,3-6,17H2,1-2H3,(H,18,21)/t9-,10?,11?/m0/s1
InChIKeyZPOIKDHUKGEEJN-WHXUTIOJSA-N
XLogP1.30
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide (CID 153294819) is (2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide is C[C@H](N)C(=O)NC1CCC(Oc2cc(=O)n(C)cc2Br)CC1.
What is the InChIKey of (2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide?
The InChIKey is ZPOIKDHUKGEEJN-WHXUTIOJSA-N. The full InChI is InChI=1S/C15H22BrN3O3/c1-9(17)15(21)18-10-3-5-11(6-4-10)22-13-7-14(20)19(2)8-12(13)16/h7-11H,3-6,17H2,1-2H3,(H,18,21)/t9-,10?,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide?
(2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide has a molecular weight of 372.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[(5-bromo-1-methyl-2-oxo-4-pyridinyl)oxy]cyclohexyl]propanamide is sourced from PubChem (CID 153294819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).