2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide

C13H19N3O2 — CID 154735703

IUPAC2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESCOCC1(C(=O)Nc2ccncc2C)CCCN1
InChIInChI=1S/C13H19N3O2/c1-10-8-14-7-4-11(10)16-12(17)13(9-18-2)5-3-6-15-13/h4,7-8,15H,3,5-6,9H2,1-2H3,(H,14,16,17)
InChIKeyYHLCPLDBTONGBB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.10
Rot. Bonds4

About 2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide

2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 154735703) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID154735703
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESCOCC1(C(=O)Nc2ccncc2C)CCCN1
InChIInChI=1S/C13H19N3O2/c1-10-8-14-7-4-11(10)16-12(17)13(9-18-2)5-3-6-15-13/h4,7-8,15H,3,5-6,9H2,1-2H3,(H,14,16,17)
InChIKeyYHLCPLDBTONGBB-UHFFFAOYSA-N
XLogP1.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide (CID 154735703) is 2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide is COCC1(C(=O)Nc2ccncc2C)CCCN1.
What is the InChIKey of 2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is YHLCPLDBTONGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-8-14-7-4-11(10)16-12(17)13(9-18-2)5-3-6-15-13/h4,7-8,15H,3,5-6,9H2,1-2H3,(H,14,16,17).
What are the key properties of 2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide?
2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154735703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).