tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate

C18H27N3O4 — CID 119035699

IUPACtert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate
SMILESCCOc1ccc(C(=O)N2CC(C)C(NC(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C18H27N3O4/c1-6-24-15-8-7-13(9-19-15)16(22)21-10-12(2)14(11-21)20-17(23)25-18(3,4)5/h7-9,12,14H,6,10-11H2,1-5H3,(H,20,23)
InChIKeyDIPSPWOYWWJPIL-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.47
Rot. Bonds4

About tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate

tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate (PubChem CID 119035699) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate
PubChem CID119035699
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nametert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate
SMILESCCOc1ccc(C(=O)N2CC(C)C(NC(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C18H27N3O4/c1-6-24-15-8-7-13(9-19-15)16(22)21-10-12(2)14(11-21)20-17(23)25-18(3,4)5/h7-9,12,14H,6,10-11H2,1-5H3,(H,20,23)
InChIKeyDIPSPWOYWWJPIL-UHFFFAOYSA-N
XLogP2.47
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3R,4R)-3-methyl-1-(4-methylbenzoyl)piperidin-4-yl]carbamate
CID 95775135
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone
CID 146080081
tert-butyl N-[(3S,4S)-1-(4-chloro-2,6-dimethylbenzoyl)-4-methylpyrrolidin-3-yl]carbamate
CID 170961159
tert-butyl N-[(3S)-1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 166934663
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate
CID 177042378
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27661534
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
6-ethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 87010730
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197
(2,6-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 62171862
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 104960451

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate (CID 119035699) is tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate is CCOc1ccc(C(=O)N2CC(C)C(NC(=O)OC(C)(C)C)C2)cn1.
What is the InChIKey of tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate?
The InChIKey is DIPSPWOYWWJPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-6-24-15-8-7-13(9-19-15)16(22)21-10-12(2)14(11-21)20-17(23)25-18(3,4)5/h7-9,12,14H,6,10-11H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate?
tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate has a molecular weight of 349.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 119035699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).