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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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).