methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate

C16H23N3O3 — CID 142662167

IUPACmethyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1(c2ccccn2)CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C16H23N3O3/c1-15(2,3)13(20)19-10-8-16(11-19,18-14(21)22-4)12-7-5-6-9-17-12/h5-7,9H,8,10-11H2,1-4H3,(H,18,21)
InChIKeyOAWWCXQWXDLMEN-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.91
Rot. Bonds2

About methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate

methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate (PubChem CID 142662167) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate
PubChem CID142662167
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namemethyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1(c2ccccn2)CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C16H23N3O3/c1-15(2,3)13(20)19-10-8-16(11-19,18-14(21)22-4)12-7-5-6-9-17-12/h5-7,9H,8,10-11H2,1-4H3,(H,18,21)
InChIKeyOAWWCXQWXDLMEN-UHFFFAOYSA-N
XLogP1.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(methoxycarbonylamino)-3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 22236948
1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 89459236
methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate
CID 118666490
methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate
CID 155198395
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111
tert-butyl N-(3-cyano-1-pyridin-2-ylpiperidin-3-yl)carbamate
CID 170991249
2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 142910401
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
CID 154702927
tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate
CID 141105169
2-amino-N-(1-pyridin-2-ylcyclopropyl)propanamide;dihydrochloride
CID 67391715

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate (CID 142662167) is methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate is COC(=O)NC1(c2ccccn2)CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate?
The InChIKey is OAWWCXQWXDLMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-15(2,3)13(20)19-10-8-16(11-19,18-14(21)22-4)12-7-5-6-9-17-12/h5-7,9H,8,10-11H2,1-4H3,(H,18,21).
What are the key properties of methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate?
methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 142662167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).