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

C24H31N3O2 — CID 102541149

IUPACtert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ncccc1C1CCCN1Cc1ccccc1)C1CC1
InChIInChI=1S/C24H31N3O2/c1-24(2,3)29-23(28)27(19-13-14-19)22-20(11-7-15-25-22)21-12-8-16-26(21)17-18-9-5-4-6-10-18/h4-7,9-11,15,19,21H,8,12-14,16-17H2,1-3H3
InChIKeyRVQVYOCXSALNIF-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.32
Rot. Bonds5

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

tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate (PubChem CID 102541149) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
PubChem CID102541149
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Nametert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ncccc1C1CCCN1Cc1ccccc1)C1CC1
InChIInChI=1S/C24H31N3O2/c1-24(2,3)29-23(28)27(19-13-14-19)22-20(11-7-15-25-22)21-12-8-16-26(21)17-18-9-5-4-6-10-18/h4-7,9-11,15,19,21H,8,12-14,16-17H2,1-3H3
InChIKeyRVQVYOCXSALNIF-UHFFFAOYSA-N
XLogP5.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.32
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-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541151
tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540875
tert-butyl N-[(2R)-butan-2-yl]-N-[3-[(2R)-1-propylpyrrolidin-2-yl]-2-pyridinyl]carbamate
CID 124552672
tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
CID 102541273
tert-butyl N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22856184
tert-butyl N-[3-(1-butylpiperidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540751
3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine
CID 102542292
tert-butyl N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540859
tert-butyl N-butan-2-yl-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541083
tert-butyl 2-[2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-3-pyridinyl]piperidine-1-carboxylate
CID 102541425

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate (CID 102541149) is tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(c1ncccc1C1CCCN1Cc1ccccc1)C1CC1.
What is the InChIKey of tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
The InChIKey is RVQVYOCXSALNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-24(2,3)29-23(28)27(19-13-14-19)22-20(11-7-15-25-22)21-12-8-16-26(21)17-18-9-5-4-6-10-18/h4-7,9-11,15,19,21H,8,12-14,16-17H2,1-3H3.
What are the key properties of tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate?
tert-butyl N-[3-(1-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate has a molecular weight of 393.53 g/mol, XLogP of 5.32, 5 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-benzylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 102541149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).