2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one

C11H16N2O2 — CID 116593749

IUPAC2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one
SMILESCOCCCC(N)C(=O)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-15-7-3-5-10(12)11(14)9-4-2-6-13-8-9/h2,4,6,8,10H,3,5,7,12H2,1H3
InChIKeyNFKRMWLKVOZZQB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.02
Rot. Bonds6

About 2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one

2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one (PubChem CID 116593749) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one.

Molecular Properties

Compound Name2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one
PubChem CID116593749
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one
SMILESCOCCCC(N)C(=O)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-15-7-3-5-10(12)11(14)9-4-2-6-13-8-9/h2,4,6,8,10H,3,5,7,12H2,1H3
InChIKeyNFKRMWLKVOZZQB-UHFFFAOYSA-N
XLogP1.02
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986
2,2-diamino-1-pyridin-3-ylethanone
CID 174594045
2-amino-1-(3,5-difluorophenyl)-5-methoxypentan-1-one
CID 116593859
2-amino-5-methoxy-1-(2-methylquinolin-6-yl)pentan-1-one
CID 116593733
N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 106152616
3-amino-1-(3-chloro-4-pyridinyl)-6-methoxyhexan-2-one
CID 116593688
methyl (2R)-2-bromo-3-oxo-3-pyridin-3-ylpropanoate
CID 124581778
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515
(4-methoxy-1-pyridin-3-ylbutyl)hydrazine
CID 105196232
2-amino-1-(3,4-diethoxyphenyl)-5-methoxypentan-1-one
CID 116593857
N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
CID 106244946
2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one
CID 116567245

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one?
The IUPAC name of 2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one (CID 116593749) is 2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one.
What is the SMILES notation for 2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one?
The canonical SMILES for 2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one is COCCCC(N)C(=O)c1cccnc1.
What is the InChIKey of 2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one?
The InChIKey is NFKRMWLKVOZZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-7-3-5-10(12)11(14)9-4-2-6-13-8-9/h2,4,6,8,10H,3,5,7,12H2,1H3.
What are the key properties of 2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one?
2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one is sourced from PubChem (CID 116593749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).