2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide

C12H19N3O2 — CID 81080952

IUPAC2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C12H19N3O2/c1-9-5-6-11(14-8-9)15-12(16)10(13)4-3-7-17-2/h5-6,8,10H,3-4,7,13H2,1-2H3,(H,14,15,16)
InChIKeyPXLFPXDEYABNOB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds6

About 2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide

2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide (PubChem CID 81080952) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide
PubChem CID81080952
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C12H19N3O2/c1-9-5-6-11(14-8-9)15-12(16)10(13)4-3-7-17-2/h5-6,8,10H,3-4,7,13H2,1-2H3,(H,14,15,16)
InChIKeyPXLFPXDEYABNOB-UHFFFAOYSA-N
XLogP1.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.08
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)-5-methoxypentanamide
CID 81102470
2-amino-5-methoxy-N-pyrimidin-5-ylpentanamide
CID 107588458
6-methoxy-N-(5-methyl-2-pyridinyl)hexanamide
CID 158537293
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide
CID 81102079
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
CID 79734820
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide (CID 81080952) is 2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide is COCCCC(N)C(=O)Nc1ccc(C)cn1.
What is the InChIKey of 2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide?
The InChIKey is PXLFPXDEYABNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-5-6-11(14-8-9)15-12(16)10(13)4-3-7-17-2/h5-6,8,10H,3-4,7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide?
2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide has a molecular weight of 237.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide is sourced from PubChem (CID 81080952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).