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

C22H22N2O4 — CID 19600077

IUPAC[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone
SMILESCN(C)Cc1cc2c(o1)CCN(C(=O)c1ccc(C(=O)c3ccco3)cc1)C2
InChIInChI=1S/C22H22N2O4/c1-23(2)14-18-12-17-13-24(10-9-19(17)28-18)22(26)16-7-5-15(6-8-16)21(25)20-4-3-11-27-20/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyWVANVEUBJCRLAM-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.36
Rot. Bonds5

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

[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone (PubChem CID 19600077) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone
PubChem CID19600077
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone
SMILESCN(C)Cc1cc2c(o1)CCN(C(=O)c1ccc(C(=O)c3ccco3)cc1)C2
InChIInChI=1S/C22H22N2O4/c1-23(2)14-18-12-17-13-24(10-9-19(17)28-18)22(26)16-7-5-15(6-8-16)21(25)20-4-3-11-27-20/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyWVANVEUBJCRLAM-UHFFFAOYSA-N
XLogP3.36
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.36
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]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone (CID 19600077) is [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone is CN(C)Cc1cc2c(o1)CCN(C(=O)c1ccc(C(=O)c3ccco3)cc1)C2.
What is the InChIKey of [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone?
The InChIKey is WVANVEUBJCRLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-23(2)14-18-12-17-13-24(10-9-19(17)28-18)22(26)16-7-5-15(6-8-16)21(25)20-4-3-11-27-20/h3-8,11-12H,9-10,13-14H2,1-2H3.
What are the key properties of [4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone?
[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone has a molecular weight of 378.43 g/mol, XLogP of 3.36, 5 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]-(furan-2-yl)methanone is sourced from PubChem (CID 19600077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).