3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide

C15H23N3O2 — CID 113025362

IUPAC3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C15H23N3O2/c1-11(2)8-15(19)18-14-6-5-12(9-17-14)16-10-13-4-3-7-20-13/h5-6,9,11,13,16H,3-4,7-8,10H2,1-2H3,(H,17,18,19)
InChIKeyVFODJQGHXUBRJB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.66
Rot. Bonds6

About 3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide

3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide (PubChem CID 113025362) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide
PubChem CID113025362
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C15H23N3O2/c1-11(2)8-15(19)18-14-6-5-12(9-17-14)16-10-13-4-3-7-20-13/h5-6,9,11,13,16H,3-4,7-8,10H2,1-2H3,(H,17,18,19)
InChIKeyVFODJQGHXUBRJB-UHFFFAOYSA-N
XLogP2.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981162
ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate
CID 113025422
2-(4-methoxyphenyl)-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113025395
2-(4-methylphenoxy)-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113025408
2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025379
3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025389
4-amino-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]butanamide
CID 82034236
2-(4-methoxyphenyl)-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]acetamide
CID 113010614
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
2-methyl-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 143457033
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide (CID 113025362) is 3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide is CC(C)CC(=O)Nc1ccc(NCC2CCCO2)cn1.
What is the InChIKey of 3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide?
The InChIKey is VFODJQGHXUBRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)8-15(19)18-14-6-5-12(9-17-14)16-10-13-4-3-7-20-13/h5-6,9,11,13,16H,3-4,7-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide?
3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide is sourced from PubChem (CID 113025362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).