2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide

C14H21N3O — CID 46580590

IUPAC2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
SMILESCC(C)C(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H21N3O/c1-11(2)14(18)16-10-12-5-6-13(15-9-12)17-7-3-4-8-17/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyLMBWWCVYMOOLNL-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.95
Rot. Bonds4

About 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide

2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide (PubChem CID 46580590) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
PubChem CID46580590
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
SMILESCC(C)C(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H21N3O/c1-11(2)14(18)16-10-12-5-6-13(15-9-12)17-7-3-4-8-17/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyLMBWWCVYMOOLNL-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide (CID 46580590) is 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide is CC(C)C(=O)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is LMBWWCVYMOOLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)14(18)16-10-12-5-6-13(15-9-12)17-7-3-4-8-17/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 247.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 46580590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).