[3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate

C17H25N3O3 — CID 174977727

IUPAC[3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C)(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C17H25N3O3/c1-16(2,3)15(22)23-20-10-8-17(4,12-20)14(21)19-11-13-7-5-6-9-18-13/h5-7,9H,8,10-12H2,1-4H3,(H,19,21)
InChIKeyRABYVZYFAZFKKE-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.91
Rot. Bonds4

About [3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate

[3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174977727) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is [3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174977727
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name[3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C)(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C17H25N3O3/c1-16(2,3)15(22)23-20-10-8-17(4,12-20)14(21)19-11-13-7-5-6-9-18-13/h5-7,9H,8,10-12H2,1-4H3,(H,19,21)
InChIKeyRABYVZYFAZFKKE-UHFFFAOYSA-N
XLogP1.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-methyl-1-[(3-phenoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 118383903
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
1-carbamothioyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80592731
(3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97387292
4-tert-butyl-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 126851285
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108959830
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 108976620

Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate (CID 174977727) is [3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(C)(C(=O)NCc2ccccn2)C1.
What is the InChIKey of [3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is RABYVZYFAZFKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-16(2,3)15(22)23-20-10-8-17(4,12-20)14(21)19-11-13-7-5-6-9-18-13/h5-7,9H,8,10-12H2,1-4H3,(H,19,21).
What are the key properties of [3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate?
[3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 319.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174977727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).