[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone

C25H26N2O4 — CID 19600124

IUPAC[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C(=O)N3CCc4oc(CN(C)C)cc4C3)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-26(2)16-22-14-20-15-27(13-12-23(20)31-22)25(29)19-6-4-17(5-7-19)24(28)18-8-10-21(30-3)11-9-18/h4-11,14H,12-13,15-16H2,1-3H3
InChIKeyGBAGWLNIBNFMJF-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.78
Rot. Bonds6

About [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone

[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone (PubChem CID 19600124) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone
PubChem CID19600124
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C(=O)N3CCc4oc(CN(C)C)cc4C3)cc2)cc1
InChIInChI=1S/C25H26N2O4/c1-26(2)16-22-14-20-15-27(13-12-23(20)31-22)25(29)19-6-4-17(5-7-19)24(28)18-8-10-21(30-3)11-9-18/h4-11,14H,12-13,15-16H2,1-3H3
InChIKeyGBAGWLNIBNFMJF-UHFFFAOYSA-N
XLogP3.78
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone (CID 19600124) is [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(C(=O)N3CCc4oc(CN(C)C)cc4C3)cc2)cc1.
What is the InChIKey of [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone?
The InChIKey is GBAGWLNIBNFMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-26(2)16-22-14-20-15-27(13-12-23(20)31-22)25(29)19-6-4-17(5-7-19)24(28)18-8-10-21(30-3)11-9-18/h4-11,14H,12-13,15-16H2,1-3H3.
What are the key properties of [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone?
[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone has a molecular weight of 418.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 19600124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).