N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide

C17H28N4O2 — CID 72861964

IUPACN-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide
SMILESCCC[C@H]1CN(Cc2ccc(N(C)C)nc2)C[C@@H]1NC(=O)CO
InChIInChI=1S/C17H28N4O2/c1-4-5-14-10-21(11-15(14)19-17(23)12-22)9-13-6-7-16(18-8-13)20(2)3/h6-8,14-15,22H,4-5,9-12H2,1-3H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyXWXRAJPCZUUOFT-GJZGRUSLSA-N
MW320.44 g/mol
LogP0.86
Rot. Bonds7

About N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide

N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide (PubChem CID 72861964) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide
PubChem CID72861964
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide
SMILESCCC[C@H]1CN(Cc2ccc(N(C)C)nc2)C[C@@H]1NC(=O)CO
InChIInChI=1S/C17H28N4O2/c1-4-5-14-10-21(11-15(14)19-17(23)12-22)9-13-6-7-16(18-8-13)20(2)3/h6-8,14-15,22H,4-5,9-12H2,1-3H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyXWXRAJPCZUUOFT-GJZGRUSLSA-N
XLogP0.86
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide?
The IUPAC name of N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide (CID 72861964) is N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide is CCC[C@H]1CN(Cc2ccc(N(C)C)nc2)C[C@@H]1NC(=O)CO.
What is the InChIKey of N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide?
The InChIKey is XWXRAJPCZUUOFT-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-5-14-10-21(11-15(14)19-17(23)12-22)9-13-6-7-16(18-8-13)20(2)3/h6-8,14-15,22H,4-5,9-12H2,1-3H3,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide?
N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide has a molecular weight of 320.44 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-3-yl]-2-hydroxyacetamide is sourced from PubChem (CID 72861964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).