[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C21H24N2O3 — CID 72890511

IUPAC[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc2c1OCC(Cc1ncccc1C(=O)N1CCCC1)C2
InChIInChI=1S/C21H24N2O3/c1-25-19-8-4-6-16-12-15(14-26-20(16)19)13-18-17(7-5-9-22-18)21(24)23-10-2-3-11-23/h4-9,15H,2-3,10-14H2,1H3
InChIKeyGHPJJAZCXOHBNF-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.12
Rot. Bonds4

About [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 72890511) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID72890511
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc2c1OCC(Cc1ncccc1C(=O)N1CCCC1)C2
InChIInChI=1S/C21H24N2O3/c1-25-19-8-4-6-16-12-15(14-26-20(16)19)13-18-17(7-5-9-22-18)21(24)23-10-2-3-11-23/h4-9,15H,2-3,10-14H2,1H3
InChIKeyGHPJJAZCXOHBNF-UHFFFAOYSA-N
XLogP3.12
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 97202786
[6-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192014
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
CID 72881865
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
CID 72877803
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinoline-5-carboxamide
CID 72926769
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72885583
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72901870
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 72928065
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 72871709

Frequently Asked Questions

What is the IUPAC name of [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 72890511) is [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is COc1cccc2c1OCC(Cc1ncccc1C(=O)N1CCCC1)C2.
What is the InChIKey of [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is GHPJJAZCXOHBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-19-8-4-6-16-12-15(14-26-20(16)19)13-18-17(7-5-9-22-18)21(24)23-10-2-3-11-23/h4-9,15H,2-3,10-14H2,1H3.
What are the key properties of [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 352.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72890511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).