6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine

C13H20N6O — CID 46225763

IUPAC6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN=[N+]=[N-])c1
InChIInChI=1S/C13H20N6O/c1-9-4-11(18-13(14)5-9)6-10-7-16-8-12(10)20-3-2-17-19-15/h4-5,10,12,16H,2-3,6-8H2,1H3,(H2,14,18)/t10-,12+/m1/s1
InChIKeyHHAWQCWTBXSJCG-PWSUYJOCSA-N
MW276.34 g/mol
LogP1.43
Rot. Bonds6

About 6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine

6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine (PubChem CID 46225763) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine
PubChem CID46225763
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN=[N+]=[N-])c1
InChIInChI=1S/C13H20N6O/c1-9-4-11(18-13(14)5-9)6-10-7-16-8-12(10)20-3-2-17-19-15/h4-5,10,12,16H,2-3,6-8H2,1H3,(H2,14,18)/t10-,12+/m1/s1
InChIKeyHHAWQCWTBXSJCG-PWSUYJOCSA-N
XLogP1.43
TPSA108.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine (CID 46225763) is 6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN=[N+]=[N-])c1.
What is the InChIKey of 6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
The InChIKey is HHAWQCWTBXSJCG-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9-4-11(18-13(14)5-9)6-10-7-16-8-12(10)20-3-2-17-19-15/h4-5,10,12,16H,2-3,6-8H2,1H3,(H2,14,18)/t10-,12+/m1/s1.
What are the key properties of 6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4R)-4-(2-azidoethoxy)pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 46225763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).