N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide

C13H19N3O2 — CID 54479195

IUPACN-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C13H19N3O2/c1-10(17)15-11-6-13(8-14-7-11)18-9-12-4-3-5-16(12)2/h6-8,12H,3-5,9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyXNUFEMLGIGICPQ-LBPRGKRZSA-N
MW249.31 g/mol
LogP1.51
Rot. Bonds4

About N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide

N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide (PubChem CID 54479195) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
PubChem CID54479195
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C13H19N3O2/c1-10(17)15-11-6-13(8-14-7-11)18-9-12-4-3-5-16(12)2/h6-8,12H,3-5,9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyXNUFEMLGIGICPQ-LBPRGKRZSA-N
XLogP1.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-ol
CID 122208649
methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate
CID 54571875
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride
CID 67585227
3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine
CID 67615056
N-ethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-3-amine
CID 113424373
(E)-but-2-enedioic acid;3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 66629517
3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethynyl)pyridine
CID 18458929
2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54367867
3-(furan-2-yl)-5-[(1-methylpyrrolidin-2-yl)methoxy]pyridine;dihydrochloride
CID 23291975
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride
CID 22872690
6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol
CID 11323701
N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide
CID 54318280

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide (CID 54479195) is N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide is CC(=O)Nc1cncc(OC[C@@H]2CCCN2C)c1.
What is the InChIKey of N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
The InChIKey is XNUFEMLGIGICPQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(17)15-11-6-13(8-14-7-11)18-9-12-4-3-5-16(12)2/h6-8,12H,3-5,9H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide?
N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide is sourced from PubChem (CID 54479195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).