2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide

C12H20N4O — CID 104533692

IUPAC2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cncc(N)c1
InChIInChI=1S/C12H20N4O/c1-4-5-16(9-12(17)15(2)3)11-6-10(13)7-14-8-11/h6-8H,4-5,9,13H2,1-3H3
InChIKeyRRJKWGILSADONV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.97
Rot. Bonds5

About 2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide

2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide (PubChem CID 104533692) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide
PubChem CID104533692
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cncc(N)c1
InChIInChI=1S/C12H20N4O/c1-4-5-16(9-12(17)15(2)3)11-6-10(13)7-14-8-11/h6-8H,4-5,9,13H2,1-3H3
InChIKeyRRJKWGILSADONV-UHFFFAOYSA-N
XLogP0.97
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide (CID 104533692) is 2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1cncc(N)c1.
What is the InChIKey of 2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide?
The InChIKey is RRJKWGILSADONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-5-16(9-12(17)15(2)3)11-6-10(13)7-14-8-11/h6-8H,4-5,9,13H2,1-3H3.
What are the key properties of 2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide?
2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 104533692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).