ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate

C13H19N3O3 — CID 113025422

IUPACethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C13H19N3O3/c1-2-18-13(17)16-12-6-5-10(8-15-12)14-9-11-4-3-7-19-11/h5-6,8,11,14H,2-4,7,9H2,1H3,(H,15,16,17)
InChIKeyAHRBZBFFYFQFBG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.24
Rot. Bonds5

About ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate

ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate (PubChem CID 113025422) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate
PubChem CID113025422
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C13H19N3O3/c1-2-18-13(17)16-12-6-5-10(8-15-12)14-9-11-4-3-7-19-11/h5-6,8,11,14H,2-4,7,9H2,1H3,(H,15,16,17)
InChIKeyAHRBZBFFYFQFBG-UHFFFAOYSA-N
XLogP2.24
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113025362
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
2-(4-methoxyphenyl)-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113025395
3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025389
ethyl 2-amino-5-(oxolan-2-ylmethylamino)benzoate
CID 61305308
4-amino-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]butanamide
CID 82034236
2-methyl-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 143457033
ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520362
2-(4-methoxyphenyl)-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]acetamide
CID 113010614
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate (CID 113025422) is ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCC2CCCO2)cn1.
What is the InChIKey of ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate?
The InChIKey is AHRBZBFFYFQFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-18-13(17)16-12-6-5-10(8-15-12)14-9-11-4-3-7-19-11/h5-6,8,11,14H,2-4,7,9H2,1H3,(H,15,16,17).
What are the key properties of ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate?
ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113025422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).