tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate

C19H29N3O2 — CID 102541273

IUPACtert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ncccc1C1CCCN1)C1CCCC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22(14-8-4-5-9-14)17-15(10-6-13-21-17)16-11-7-12-20-16/h6,10,13-14,16,20H,4-5,7-9,11-12H2,1-3H3
InChIKeyNTUVCDFJQMBRRA-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.19
Rot. Bonds3

About tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate

tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate (PubChem CID 102541273) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
PubChem CID102541273
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Nametert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ncccc1C1CCCN1)C1CCCC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22(14-8-4-5-9-14)17-15(10-6-13-21-17)16-11-7-12-20-16/h6,10,13-14,16,20H,4-5,7-9,11-12H2,1-3H3
InChIKeyNTUVCDFJQMBRRA-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-butan-2-yl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate
CID 102541081
tert-butyl N-cyclopentyl-N-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541278
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-cyclopropylcarbamate
CID 102541151
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
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
tert-butyl N-(2-piperidin-2-ylphenyl)carbamate
CID 45357060
tert-butyl N-[3-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540875
tert-butyl N-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-2-yl)-2-pyridinyl]carbamate
CID 102540973
2-fluoro-3-[(2S)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171196297
tert-butyl N-[3-(1-methylpiperidin-2-yl)-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540970
tert-butyl N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540859

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate (CID 102541273) is tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate is CC(C)(C)OC(=O)N(c1ncccc1C1CCCN1)C1CCCC1.
What is the InChIKey of tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate?
The InChIKey is NTUVCDFJQMBRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22(14-8-4-5-9-14)17-15(10-6-13-21-17)16-11-7-12-20-16/h6,10,13-14,16,20H,4-5,7-9,11-12H2,1-3H3.
What are the key properties of tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate?
tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate has a molecular weight of 331.46 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopentyl-N-(3-pyrrolidin-2-yl-2-pyridinyl)carbamate is sourced from PubChem (CID 102541273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).