N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide

C13H21N5O — CID 22598704

IUPACN-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(N)c(N(C)C)n2)C1
InChIInChI=1S/C13H21N5O/c1-9(19)15-10-6-7-18(8-10)12-5-4-11(14)13(16-12)17(2)3/h4-5,10H,6-8,14H2,1-3H3,(H,15,19)
InChIKeyXFGRPJSLLNRWMN-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.44
Rot. Bonds3

About N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide

N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 22598704) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID22598704
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(N)c(N(C)C)n2)C1
InChIInChI=1S/C13H21N5O/c1-9(19)15-10-6-7-18(8-10)12-5-4-11(14)13(16-12)17(2)3/h4-5,10H,6-8,14H2,1-3H3,(H,15,19)
InChIKeyXFGRPJSLLNRWMN-UHFFFAOYSA-N
XLogP0.44
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide (CID 22598704) is N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2ccc(N)c(N(C)C)n2)C1.
What is the InChIKey of N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is XFGRPJSLLNRWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(19)15-10-6-7-18(8-10)12-5-4-11(14)13(16-12)17(2)3/h4-5,10H,6-8,14H2,1-3H3,(H,15,19).
What are the key properties of N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 22598704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).