2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide

C17H27N3O — CID 46942871

IUPAC2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccnc1CNC(=O)C1(C)CCCN1CC(C)C
InChIInChI=1S/C17H27N3O/c1-13(2)12-20-10-6-8-17(20,4)16(21)19-11-15-14(3)7-5-9-18-15/h5,7,9,13H,6,8,10-12H2,1-4H3,(H,19,21)
InChIKeyIVSKJEYVBNTKFA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.52
Rot. Bonds5

About 2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide

2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 46942871) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID46942871
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccnc1CNC(=O)C1(C)CCCN1CC(C)C
InChIInChI=1S/C17H27N3O/c1-13(2)12-20-10-6-8-17(20,4)16(21)19-11-15-14(3)7-5-9-18-15/h5,7,9,13H,6,8,10-12H2,1-4H3,(H,19,21)
InChIKeyIVSKJEYVBNTKFA-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 46942871) is 2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide is Cc1cccnc1CNC(=O)C1(C)CCCN1CC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is IVSKJEYVBNTKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)12-20-10-6-8-17(20,4)16(21)19-11-15-14(3)7-5-9-18-15/h5,7,9,13H,6,8,10-12H2,1-4H3,(H,19,21).
What are the key properties of 2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46942871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).