[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C21H24N2O3 — CID 97192015

IUPAC[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc2c1OC[C@@H](Cc1ccc(C(=O)N3CCCC3)cn1)C2
InChIInChI=1S/C21H24N2O3/c1-25-19-6-4-5-16-11-15(14-26-20(16)19)12-18-8-7-17(13-22-18)21(24)23-9-2-3-10-23/h4-8,13,15H,2-3,9-12,14H2,1H3/t15-/m1/s1
InChIKeyPSDWAXVWRSRFLN-OAHLLOKOSA-N
MW352.43 g/mol
LogP3.12
Rot. Bonds4

About [6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 97192015) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID97192015
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc2c1OC[C@@H](Cc1ccc(C(=O)N3CCCC3)cn1)C2
InChIInChI=1S/C21H24N2O3/c1-25-19-6-4-5-16-11-15(14-26-20(16)19)12-18-8-7-17(13-22-18)21(24)23-9-2-3-10-23/h4-8,13,15H,2-3,9-12,14H2,1H3/t15-/m1/s1
InChIKeyPSDWAXVWRSRFLN-OAHLLOKOSA-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 [6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[6-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192014
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72890511
[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
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone
CID 97186886
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 97275621
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
CID 72901612
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 70718890
1-[6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]ethanone
CID 97142947
2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137344339

Frequently Asked Questions

What is the IUPAC name of [6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 97192015) is [6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is COc1cccc2c1OC[C@@H](Cc1ccc(C(=O)N3CCCC3)cn1)C2.
What is the InChIKey of [6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is PSDWAXVWRSRFLN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-19-6-4-5-16-11-15(14-26-20(16)19)12-18-8-7-17(13-22-18)21(24)23-9-2-3-10-23/h4-8,13,15H,2-3,9-12,14H2,1H3/t15-/m1/s1.
What are the key properties of [6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[[(3R)-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 [6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97192015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).