2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide

C13H22N4O — CID 79177065

IUPAC2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(C)c(N)cn1
InChIInChI=1S/C13H22N4O/c1-5-6-17(9-13(18)16(3)4)12-7-10(2)11(14)8-15-12/h7-8H,5-6,9,14H2,1-4H3
InChIKeyHEPNOIWUQAJHKT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.28
Rot. Bonds5

About 2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide

2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide (PubChem CID 79177065) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide
PubChem CID79177065
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(C)c(N)cn1
InChIInChI=1S/C13H22N4O/c1-5-6-17(9-13(18)16(3)4)12-7-10(2)11(14)8-15-12/h7-8H,5-6,9,14H2,1-4H3
InChIKeyHEPNOIWUQAJHKT-UHFFFAOYSA-N
XLogP1.28
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide (CID 79177065) is 2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1cc(C)c(N)cn1.
What is the InChIKey of 2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide?
The InChIKey is HEPNOIWUQAJHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-6-17(9-13(18)16(3)4)12-7-10(2)11(14)8-15-12/h7-8H,5-6,9,14H2,1-4H3.
What are the key properties of 2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide?
2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide has a molecular weight of 250.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 79177065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).