tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate

C17H24N4O3 — CID 137457508

IUPACtert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@@H]2CCN(CCC#N)C2)c1=O
InChIInChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)19-14-6-4-10-21(15(14)22)13-7-11-20(12-13)9-5-8-18/h4,6,10,13H,5,7,9,11-12H2,1-3H3,(H,19,23)/t13-/m1/s1
InChIKeyUPCUDYLIBHZOAT-CYBMUJFWSA-N
MW332.40 g/mol
LogP2.36
Rot. Bonds4

About tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 137457508) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate
PubChem CID137457508
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nametert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@@H]2CCN(CCC#N)C2)c1=O
InChIInChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)19-14-6-4-10-21(15(14)22)13-7-11-20(12-13)9-5-8-18/h4,6,10,13H,5,7,9,11-12H2,1-3H3,(H,19,23)/t13-/m1/s1
InChIKeyUPCUDYLIBHZOAT-CYBMUJFWSA-N
XLogP2.36
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile
CID 137450920
tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate
CID 137457794
tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate
CID 164555029
N-[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]acetamide
CID 137450630
1-bromo-2-fluoroethane;tert-butyl N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]carbamate;tert-butyl N-[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;bis((3R)-1-(2-fluoroethyl)piperidin-3-amine);1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;dihydrochloride
CID 162212279
tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate
CID 162478760
tert-butyl N-[1-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]piperidin-4-yl]carbamate
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tert-butyl N-[2-[[4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]benzoyl]amino]phenyl]carbamate
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tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
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tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
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tert-butyl N-[2-(2-piperazin-1-ylethyl)phenyl]carbamate
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tert-butyl N-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]carbamate
CID 107237024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate (CID 137457508) is tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn([C@@H]2CCN(CCC#N)C2)c1=O.
What is the InChIKey of tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is UPCUDYLIBHZOAT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)19-14-6-4-10-21(15(14)22)13-7-11-20(12-13)9-5-8-18/h4,6,10,13H,5,7,9,11-12H2,1-3H3,(H,19,23)/t13-/m1/s1.
What are the key properties of tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 332.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137457508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).