tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate

C21H35N3O2 — CID 124552672

IUPACtert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate
SMILESCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC
InChIInChI=1S/C21H35N3O2/c1-7-14-23-15-10-12-18(23)17-11-9-13-22-19(17)24(16(3)8-2)20(25)26-21(4,5)6/h9,11,13,16,18H,7-8,10,12,14-15H2,1-6H3/t16-,18-/m1/s1
InChIKeyACNVLENRHNVGCA-SJLPKXTDSA-N
MW361.53 g/mol
LogP5.17
Rot. Bonds6

About tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate

tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate (PubChem CID 124552672) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate
PubChem CID124552672
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Nametert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate
SMILESCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC
InChIInChI=1S/C21H35N3O2/c1-7-14-23-15-10-12-18(23)17-11-9-13-22-19(17)24(16(3)8-2)20(25)26-21(4,5)6/h9,11,13,16,18H,7-8,10,12,14-15H2,1-6H3/t16-,18-/m1/s1
InChIKeyACNVLENRHNVGCA-SJLPKXTDSA-N
XLogP5.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate
CID 124552679
tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541083
tert-butyl N-butan-2-yl-N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541084
tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
CID 102541081
tert-butyl N-[3-(1-methylpiperidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540970
tert-butyl N-[3-(1-butylpiperidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540751
tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541278
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-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540875
tert-butyl N-[3-(1-propylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102540684
tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541149

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate (CID 124552672) is tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate is CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC.
What is the InChIKey of tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate?
The InChIKey is ACNVLENRHNVGCA-SJLPKXTDSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-7-14-23-15-10-12-18(23)17-11-9-13-22-19(17)24(16(3)8-2)20(25)26-21(4,5)6/h9,11,13,16,18H,7-8,10,12,14-15H2,1-6H3/t16-,18-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate?
tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate has a molecular weight of 361.53 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 124552672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).