2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide

C16H24FN3O2 — CID 132776492

IUPAC2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide
SMILESCOCC1(CC(=O)N(C)C)CCCN1Cc1ncccc1F
InChIInChI=1S/C16H24FN3O2/c1-19(2)15(21)10-16(12-22-3)7-5-9-20(16)11-14-13(17)6-4-8-18-14/h4,6,8H,5,7,9-12H2,1-3H3
InChIKeyDSRSNHSQYWKTCB-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.68
Rot. Bonds6

About 2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide

2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide (PubChem CID 132776492) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide
PubChem CID132776492
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Name2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide
SMILESCOCC1(CC(=O)N(C)C)CCCN1Cc1ncccc1F
InChIInChI=1S/C16H24FN3O2/c1-19(2)15(21)10-16(12-22-3)7-5-9-20(16)11-14-13(17)6-4-8-18-14/h4,6,8H,5,7,9-12H2,1-3H3
InChIKeyDSRSNHSQYWKTCB-UHFFFAOYSA-N
XLogP1.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide (CID 132776492) is 2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide is COCC1(CC(=O)N(C)C)CCCN1Cc1ncccc1F.
What is the InChIKey of 2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide?
The InChIKey is DSRSNHSQYWKTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-19(2)15(21)10-16(12-22-3)7-5-9-20(16)11-14-13(17)6-4-8-18-14/h4,6,8H,5,7,9-12H2,1-3H3.
What are the key properties of 2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide?
2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide has a molecular weight of 309.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 132776492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).