2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide

C13H19N3O — CID 107339694

IUPAC2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C13H19N3O/c1-3-4-5-8-16(2)13(17)9-12-7-6-11(14)10-15-12/h3,6-7,10H,1,4-5,8-9,14H2,2H3
InChIKeyMLILZGAMGZFLEN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.63
Rot. Bonds6

About 2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide

2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide (PubChem CID 107339694) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide
PubChem CID107339694
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C13H19N3O/c1-3-4-5-8-16(2)13(17)9-12-7-6-11(14)10-15-12/h3,6-7,10H,1,4-5,8-9,14H2,2H3
InChIKeyMLILZGAMGZFLEN-UHFFFAOYSA-N
XLogP1.63
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 107339049
2-(5-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 107337647
2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120617349
2-(5-amino-2-pyridinyl)-N,N-diethylacetamide;hydrochloride
CID 120616165
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 107338519
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 107338553
2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 107338022
2-(5-amino-2-pyridinyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 107338609
2-(5-amino-2-pyridinyl)-N-cyclohexyl-N-methylacetamide
CID 107337433
2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 107339531
2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide
CID 113239258

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide (CID 107339694) is 2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide is C=CCCCN(C)C(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide?
The InChIKey is MLILZGAMGZFLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-4-5-8-16(2)13(17)9-12-7-6-11(14)10-15-12/h3,6-7,10H,1,4-5,8-9,14H2,2H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide?
2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide is sourced from PubChem (CID 107339694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).