N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide

C13H19N3O2 — CID 62997538

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCOc1cc(CNC(=O)CC2CCCN2)ccn1
InChIInChI=1S/C13H19N3O2/c1-18-13-7-10(4-6-15-13)9-16-12(17)8-11-3-2-5-14-11/h4,6-7,11,14H,2-3,5,8-9H2,1H3,(H,16,17)
InChIKeyHEJFJBLQMRPBDW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.85
Rot. Bonds5

About N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide

N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 62997538) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID62997538
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCOc1cc(CNC(=O)CC2CCCN2)ccn1
InChIInChI=1S/C13H19N3O2/c1-18-13-7-10(4-6-15-13)9-16-12(17)8-11-3-2-5-14-11/h4,6-7,11,14H,2-3,5,8-9H2,1H3,(H,16,17)
InChIKeyHEJFJBLQMRPBDW-UHFFFAOYSA-N
XLogP0.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
N-[(2-methoxy-4-pyridinyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63875211
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119846944
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102779392
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119892797
N-[(2-methoxy-4-pyridinyl)methyl]-2-piperazin-1-ylacetamide
CID 62995583
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 62997538) is N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide is COc1cc(CNC(=O)CC2CCCN2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is HEJFJBLQMRPBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13-7-10(4-6-15-13)9-16-12(17)8-11-3-2-5-14-11/h4,6-7,11,14H,2-3,5,8-9H2,1H3,(H,16,17).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 62997538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).