N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide

C13H19N3O2 — CID 95212752

IUPACN-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide
SMILESCN1CC[C@@H](CNC(=O)COc2cccnc2)C1
InChIInChI=1S/C13H19N3O2/c1-16-6-4-11(9-16)7-15-13(17)10-18-12-3-2-5-14-8-12/h2-3,5,8,11H,4,6-7,9-10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyCEXWCKSMBKRSAG-NSHDSACASA-N
MW249.31 g/mol
LogP0.53
Rot. Bonds5

About N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide

N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide (PubChem CID 95212752) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide
PubChem CID95212752
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide
SMILESCN1CC[C@@H](CNC(=O)COc2cccnc2)C1
InChIInChI=1S/C13H19N3O2/c1-16-6-4-11(9-16)7-15-13(17)10-18-12-3-2-5-14-8-12/h2-3,5,8,11H,4,6-7,9-10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyCEXWCKSMBKRSAG-NSHDSACASA-N
XLogP0.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 60855037
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide
CID 126426070
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
N-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)oxyacetamide
CID 116794202
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108751
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 16895399
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405
2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924733

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide (CID 95212752) is N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide is CN1CC[C@@H](CNC(=O)COc2cccnc2)C1.
What is the InChIKey of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide?
The InChIKey is CEXWCKSMBKRSAG-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-6-4-11(9-16)7-15-13(17)10-18-12-3-2-5-14-8-12/h2-3,5,8,11H,4,6-7,9-10H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide?
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 95212752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).