[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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Related Compounds

6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]pyridin-2-amine
CID 178156266
[5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate
CID 121347296
ethane;2,2,2-trifluoro-N-methyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]ethanamine
CID 172576226
tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate
CID 161042218
1-cyclopropyl-N-[[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]methanamine
CID 164926709
tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane
CID 167458764
N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine
CID 165400243
N-[[6-ethyl-3-(oxolan-3-yl)-2-pyridinyl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 156651300
N-[[6-ethyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]-N-methylpropan-2-amine
CID 164926766
7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(2-methyl-4-pyridinyl)-2,3-dihydroisoindol-1-one
CID 176836675
N-[[6-butan-2-yl-3-[(3S)-oxolan-3-yl]-2-pyridinyl]methyl]-2-methoxy-N-methylethanamine
CID 156652222
tert-butyl 4-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate
CID 156652453

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).