N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide

C14H24N6O — CID 67398749

IUPACN-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCCN1c1ccc(N)c(NCCN)n1
InChIInChI=1S/C14H24N6O/c1-10(21)19(2)13-4-3-9-20(13)12-6-5-11(16)14(18-12)17-8-7-15/h5-6,13H,3-4,7-9,15-16H2,1-2H3,(H,17,18)
InChIKeyPYFVWNPBXLBOFQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.44
Rot. Bonds5

About N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide

N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide (PubChem CID 67398749) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide
PubChem CID67398749
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC NameN-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCCN1c1ccc(N)c(NCCN)n1
InChIInChI=1S/C14H24N6O/c1-10(21)19(2)13-4-3-9-20(13)12-6-5-11(16)14(18-12)17-8-7-15/h5-6,13H,3-4,7-9,15-16H2,1-2H3,(H,17,18)
InChIKeyPYFVWNPBXLBOFQ-UHFFFAOYSA-N
XLogP0.44
TPSA100.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide?
The IUPAC name of N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide (CID 67398749) is N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide is CC(=O)N(C)C1CCCN1c1ccc(N)c(NCCN)n1.
What is the InChIKey of N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide?
The InChIKey is PYFVWNPBXLBOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-10(21)19(2)13-4-3-9-20(13)12-6-5-11(16)14(18-12)17-8-7-15/h5-6,13H,3-4,7-9,15-16H2,1-2H3,(H,17,18).
What are the key properties of N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide?
N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide has a molecular weight of 292.39 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-amino-6-(2-aminoethylamino)-2-pyridinyl]pyrrolidin-2-yl]-N-methylacetamide is sourced from PubChem (CID 67398749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).