N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide

C15H23N3O3 — CID 136585320

IUPACN-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(CNC(C)[C@H]2COC(C)(C)O2)cn1
InChIInChI=1S/C15H23N3O3/c1-10(13-9-20-15(3,4)21-13)16-7-12-5-6-14(17-8-12)18-11(2)19/h5-6,8,10,13,16H,7,9H2,1-4H3,(H,17,18,19)/t10?,13-/m1/s1
InChIKeyVSOBYLDURKEEPV-JLOHTSLTSA-N
MW293.37 g/mol
LogP1.67
Rot. Bonds5

About N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide

N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide (PubChem CID 136585320) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide
PubChem CID136585320
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(CNC(C)[C@H]2COC(C)(C)O2)cn1
InChIInChI=1S/C15H23N3O3/c1-10(13-9-20-15(3,4)21-13)16-7-12-5-6-14(17-8-12)18-11(2)19/h5-6,8,10,13,16H,7,9H2,1-4H3,(H,17,18,19)/t10?,13-/m1/s1
InChIKeyVSOBYLDURKEEPV-JLOHTSLTSA-N
XLogP1.67
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide (CID 136585320) is N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(CNC(C)[C@H]2COC(C)(C)O2)cn1.
What is the InChIKey of N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide?
The InChIKey is VSOBYLDURKEEPV-JLOHTSLTSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(13-9-20-15(3,4)21-13)16-7-12-5-6-14(17-8-12)18-11(2)19/h5-6,8,10,13,16H,7,9H2,1-4H3,(H,17,18,19)/t10?,13-/m1/s1.
What are the key properties of N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide?
N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 136585320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).