[2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

C21H24N2O3 — CID 72854561

IUPAC[2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc2c(c1)OCC(Cc1cc(C(=O)N3CCCC3)ccn1)C2
InChIInChI=1S/C21H24N2O3/c1-25-19-5-4-16-10-15(14-26-20(16)13-19)11-18-12-17(6-7-22-18)21(24)23-8-2-3-9-23/h4-7,12-13,15H,2-3,8-11,14H2,1H3
InChIKeyKOSQUNBZXLEPFQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.12
Rot. Bonds4

About [2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 72854561) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID72854561
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc2c(c1)OCC(Cc1cc(C(=O)N3CCCC3)ccn1)C2
InChIInChI=1S/C21H24N2O3/c1-25-19-5-4-16-10-15(14-26-20(16)13-19)11-18-12-17(6-7-22-18)21(24)23-8-2-3-9-23/h4-7,12-13,15H,2-3,8-11,14H2,1H3
InChIKeyKOSQUNBZXLEPFQ-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-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

1-(2-Hydroxy-4-(2-methylpropoxy)phenyl)-3-(2-pyridinyl)-1-propanone
CID 49869550
7-Methoxy-2-(pyridin-3-YL)chroman-4-one
CID 10777387
(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 25128776
(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-pyridin-4-ylprop-2-en-1-one
CID 25133922
6-(2,6-Dimethoxyphenyl)-1-((2-phenylpyridin-4-yl)methyl)piperidin-2-one
CID 69080156
5-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one
CID 127051726
4-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,6-naphthyridin-1-one
CID 127051727
8-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one
CID 127052023
1-(2,6-Dimethoxybenzoyl)-4-(4-pyridinylmethyl)piperazine
CID 695011
7-methoxy-6-propyl-3-(pyridin-2-yl)-4H-chromen-4-one
CID 740743
(2,6-Dimethoxy-phenyl)-(4-pyridin-3-ylmethyl-piperazin-1-yl)-methanone
CID 1112890
7-Propoxy-3-pyridin-2-ylchromen-2-one
CID 2351184

Frequently Asked Questions

What is the IUPAC name of [2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 72854561) is [2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is COc1ccc2c(c1)OCC(Cc1cc(C(=O)N3CCCC3)ccn1)C2.
What is the InChIKey of [2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KOSQUNBZXLEPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-19-5-4-16-10-15(14-26-20(16)13-19)11-18-12-17(6-7-22-18)21(24)23-8-2-3-9-23/h4-7,12-13,15H,2-3,8-11,14H2,1H3.
What are the key properties of [2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-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-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72854561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).