[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate

C17H27N3O3 — CID 175330279

IUPAC[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate
SMILESCN(C)Cc1nc(OC(=O)NC(C)(C)C)ccc1[C@H]1CCOC1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)19-16(21)23-15-7-6-13(12-8-9-22-11-12)14(18-15)10-20(4)5/h6-7,12H,8-11H2,1-5H3,(H,19,21)/t12-/m0/s1
InChIKeyWNIQPGZIMBKKDX-LBPRGKRZSA-N
MW321.42 g/mol
LogP2.53
Rot. Bonds4

About [6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate

[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate (PubChem CID 175330279) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is [6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate
PubChem CID175330279
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate
SMILESCN(C)Cc1nc(OC(=O)NC(C)(C)C)ccc1[C@H]1CCOC1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)19-16(21)23-15-7-6-13(12-8-9-22-11-12)14(18-15)10-20(4)5/h6-7,12H,8-11H2,1-5H3,(H,19,21)/t12-/m0/s1
InChIKeyWNIQPGZIMBKKDX-LBPRGKRZSA-N
XLogP2.53
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate?
The IUPAC name of [6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate (CID 175330279) is [6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate.
What is the SMILES notation for [6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate?
The canonical SMILES for [6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate is CN(C)Cc1nc(OC(=O)NC(C)(C)C)ccc1[C@H]1CCOC1.
What is the InChIKey of [6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate?
The InChIKey is WNIQPGZIMBKKDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)19-16(21)23-15-7-6-13(12-8-9-22-11-12)14(18-15)10-20(4)5/h6-7,12H,8-11H2,1-5H3,(H,19,21)/t12-/m0/s1.
What are the key properties of [6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate?
[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate has a molecular weight of 321.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate is sourced from PubChem (CID 175330279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).