(2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide

C16H24N4O3 — CID 56705987

IUPAC(2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCc1nc(C)ccc1OCC(=O)N1C[C@H](N)C[C@H]1C(=O)NC
InChIInChI=1S/C16H24N4O3/c1-4-12-14(6-5-10(2)19-12)23-9-15(21)20-8-11(17)7-13(20)16(22)18-3/h5-6,11,13H,4,7-9,17H2,1-3H3,(H,18,22)/t11-,13+/m1/s1
InChIKeyKYYUUFRJBWABPX-YPMHNXCESA-N
MW320.39 g/mol
LogP0.01
Rot. Bonds5

About (2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56705987) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56705987
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCc1nc(C)ccc1OCC(=O)N1C[C@H](N)C[C@H]1C(=O)NC
InChIInChI=1S/C16H24N4O3/c1-4-12-14(6-5-10(2)19-12)23-9-15(21)20-8-11(17)7-13(20)16(22)18-3/h5-6,11,13H,4,7-9,17H2,1-3H3,(H,18,22)/t11-,13+/m1/s1
InChIKeyKYYUUFRJBWABPX-YPMHNXCESA-N
XLogP0.01
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide 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 (2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 56705987) is (2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide is CCc1nc(C)ccc1OCC(=O)N1C[C@H](N)C[C@H]1C(=O)NC.
What is the InChIKey of (2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is KYYUUFRJBWABPX-YPMHNXCESA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-12-14(6-5-10(2)19-12)23-9-15(21)20-8-11(17)7-13(20)16(22)18-3/h5-6,11,13H,4,7-9,17H2,1-3H3,(H,18,22)/t11-,13+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56705987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).