N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide

C13H19N3O2 — CID 102779392

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(CNC(=O)C2NCCC2C)ccn1
InChIInChI=1S/C13H19N3O2/c1-9-3-5-15-12(9)13(17)16-8-10-4-6-14-11(7-10)18-2/h4,6-7,9,12,15H,3,5,8H2,1-2H3,(H,16,17)
InChIKeyQJULFXJEHYHUBI-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.70
Rot. Bonds4

About N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide

N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779392) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102779392
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(CNC(=O)C2NCCC2C)ccn1
InChIInChI=1S/C13H19N3O2/c1-9-3-5-15-12(9)13(17)16-8-10-4-6-14-11(7-10)18-2/h4,6-7,9,12,15H,3,5,8H2,1-2H3,(H,16,17)
InChIKeyQJULFXJEHYHUBI-UHFFFAOYSA-N
XLogP0.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
N-[(2-methoxy-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 62997538
N-[(2-methoxy-4-pyridinyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63875211
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 102779045
N-[(2-methoxy-4-pyridinyl)methyl]-2-piperazin-1-ylacetamide
CID 62995583
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 102779276
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide
CID 107067835
(2S,4S)-2-methyl-N-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120636780
(5R)-N-[(2-methoxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662125
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847892

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide (CID 102779392) is N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide is COc1cc(CNC(=O)C2NCCC2C)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is QJULFXJEHYHUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-3-5-15-12(9)13(17)16-8-10-4-6-14-11(7-10)18-2/h4,6-7,9,12,15H,3,5,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide?
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.70, 4 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]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).