2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide

C12H18BrN3O2 — CID 81102470

IUPAC2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C12H18BrN3O2/c1-8-9(13)5-6-11(15-8)16-12(17)10(14)4-3-7-18-2/h5-6,10H,3-4,7,14H2,1-2H3,(H,15,16,17)
InChIKeyFXTLCWZXPRVDGA-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.84
Rot. Bonds6

About 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide (PubChem CID 81102470) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
PubChem CID81102470
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C12H18BrN3O2/c1-8-9(13)5-6-11(15-8)16-12(17)10(14)4-3-7-18-2/h5-6,10H,3-4,7,14H2,1-2H3,(H,15,16,17)
InChIKeyFXTLCWZXPRVDGA-UHFFFAOYSA-N
XLogP1.84
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
CID 113246337
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 79048870
2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide
CID 81080952
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
CID 79048264
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
CID 79018492
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
CID 79734820
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-amino-5-methoxy-N-pyrimidin-5-ylpentanamide
CID 107588458

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide (CID 81102470) is 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide is COCCCC(N)C(=O)Nc1ccc(Br)c(C)n1.
What is the InChIKey of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide?
The InChIKey is FXTLCWZXPRVDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-8-9(13)5-6-11(15-8)16-12(17)10(14)4-3-7-18-2/h5-6,10H,3-4,7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide?
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide has a molecular weight of 316.20 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide is sourced from PubChem (CID 81102470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).