tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane

C20H33N3O3 — CID 167458764

IUPACtert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane
SMILESCC.CN(C)Cc1nc(NC(=O)OC(C)(C)C)ccc1C1CCC(=O)C1
InChIInChI=1S/C18H27N3O3.C2H6/c1-18(2,3)24-17(23)20-16-9-8-14(12-6-7-13(22)10-12)15(19-16)11-21(4)5;1-2/h8-9,12H,6-7,10-11H2,1-5H3,(H,19,20,23);1-2H3
InChIKeyZLGBUKLHYBRQSY-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.35
Rot. Bonds4

About tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane

tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane (PubChem CID 167458764) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane
PubChem CID167458764
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Nametert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane
SMILESCC.CN(C)Cc1nc(NC(=O)OC(C)(C)C)ccc1C1CCC(=O)C1
InChIInChI=1S/C18H27N3O3.C2H6/c1-18(2,3)24-17(23)20-16-9-8-14(12-6-7-13(22)10-12)15(19-16)11-21(4)5;1-2/h8-9,12H,6-7,10-11H2,1-5H3,(H,19,20,23);1-2H3
InChIKeyZLGBUKLHYBRQSY-UHFFFAOYSA-N
XLogP4.35
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
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
[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl] N-tert-butylcarbamate
CID 175330279
tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate
CID 18926411
2-[3-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetic acid
CID 68842909
tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate
CID 24763845
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
CID 123779338
tert-butyl N-(6-cyclopropyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)carbamate
CID 163237854
tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]carbamate;6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide
CID 160533438

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane (CID 167458764) is tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane is CC.CN(C)Cc1nc(NC(=O)OC(C)(C)C)ccc1C1CCC(=O)C1.
What is the InChIKey of tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane?
The InChIKey is ZLGBUKLHYBRQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.C2H6/c1-18(2,3)24-17(23)20-16-9-8-14(12-6-7-13(22)10-12)15(19-16)11-21(4)5;1-2/h8-9,12H,6-7,10-11H2,1-5H3,(H,19,20,23);1-2H3.
What are the key properties of tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane?
tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane has a molecular weight of 363.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(dimethylamino)methyl]-5-(3-oxocyclopentyl)-2-pyridinyl]carbamate;ethane is sourced from PubChem (CID 167458764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).