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

C19H31N3O2 — CID 102541083

IUPACtert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
SMILESCCC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1CCCN1C
InChIInChI=1S/C19H31N3O2/c1-7-14(2)22(18(23)24-19(3,4)5)17-15(10-8-12-20-17)16-11-9-13-21(16)6/h8,10,12,14,16H,7,9,11,13H2,1-6H3
InChIKeyDSBYWWZDGQDTFM-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.39
Rot. Bonds4

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

tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate (PubChem CID 102541083) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
PubChem CID102541083
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nametert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
SMILESCCC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1CCCN1C
InChIInChI=1S/C19H31N3O2/c1-7-14(2)22(18(23)24-19(3,4)5)17-15(10-8-12-20-17)16-11-9-13-21(16)6/h8,10,12,14,16H,7,9,11,13H2,1-6H3
InChIKeyDSBYWWZDGQDTFM-UHFFFAOYSA-N
XLogP4.39
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate
CID 124552672
tert-butyl N-[3-(1-methylpiperidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540970
tert-butyl N-butan-2-yl-N-[3-(1-formylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541084
tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2S)-1-butylpiperidin-2-yl]-2-pyridinyl]carbamate
CID 124552679
tert-butyl N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540859
tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
CID 102541081
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-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102541066
tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541278
tert-butyl N-[3-(1-butylpiperidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540751
tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540875
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541151

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate (CID 102541083) is tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate is CCC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1CCCN1C.
What is the InChIKey of tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is DSBYWWZDGQDTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-7-14(2)22(18(23)24-19(3,4)5)17-15(10-8-12-20-17)16-11-9-13-21(16)6/h8,10,12,14,16H,7,9,11,13H2,1-6H3.
What are the key properties of tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 333.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 102541083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).