tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate

C19H27N3O3 — CID 102541151

IUPACtert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
SMILESCC(=O)N1CCCC1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C19H27N3O3/c1-13(23)21-12-6-8-16(21)15-7-5-11-20-17(15)22(14-9-10-14)18(24)25-19(2,3)4/h5,7,11,14,16H,6,8-10,12H2,1-4H3
InChIKeyFGOBFLGMVJFWDT-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.67
Rot. Bonds3

About tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate

tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate (PubChem CID 102541151) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
PubChem CID102541151
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
SMILESCC(=O)N1CCCC1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C19H27N3O3/c1-13(23)21-12-6-8-16(21)15-7-5-11-20-17(15)22(14-9-10-14)18(24)25-19(2,3)4/h5,7,11,14,16H,6,8-10,12H2,1-4H3
InChIKeyFGOBFLGMVJFWDT-UHFFFAOYSA-N
XLogP3.67
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541278
benzyl 2-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102541216
tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541149
1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540000
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540671
tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
CID 102541273
tert-butyl 2-[2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-3-pyridinyl]piperidine-1-carboxylate
CID 102541425
tert-butyl N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540859
tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102540973
tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541083
tert-butyl N-[3-(1-methylpiperidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540970
tert-butyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541661

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate (CID 102541151) is tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate is CC(=O)N1CCCC1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
The InChIKey is FGOBFLGMVJFWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(23)21-12-6-8-16(21)15-7-5-11-20-17(15)22(14-9-10-14)18(24)25-19(2,3)4/h5,7,11,14,16H,6,8-10,12H2,1-4H3.
What are the key properties of tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate has a molecular weight of 345.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 102541151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).