[4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone

C26H28N2O3 — CID 19599902

IUPAC[4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone
SMILESCCN(CC)Cc1cc2c(o1)CN(C(=O)c1ccc(C(=O)c3ccccc3)cc1)CC2
InChIInChI=1S/C26H28N2O3/c1-3-27(4-2)17-23-16-22-14-15-28(18-24(22)31-23)26(30)21-12-10-20(11-13-21)25(29)19-8-6-5-7-9-19/h5-13,16H,3-4,14-15,17-18H2,1-2H3
InChIKeyWCRRWFXZBANLED-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.55
Rot. Bonds7

About [4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone

[4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone (PubChem CID 19599902) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is [4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone
PubChem CID19599902
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name[4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone
SMILESCCN(CC)Cc1cc2c(o1)CN(C(=O)c1ccc(C(=O)c3ccccc3)cc1)CC2
InChIInChI=1S/C26H28N2O3/c1-3-27(4-2)17-23-16-22-14-15-28(18-24(22)31-23)26(30)21-12-10-20(11-13-21)25(29)19-8-6-5-7-9-19/h5-13,16H,3-4,14-15,17-18H2,1-2H3
InChIKeyWCRRWFXZBANLED-UHFFFAOYSA-N
XLogP4.55
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[4-[2-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]methanone;hydrochloride
CID 19599932
[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone
CID 19600027
[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-thiophen-2-ylmethanone
CID 19599886
[4-[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-(2-methoxyphenyl)methanone;hydrochloride
CID 19600165
6-(4-benzoylbenzoyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carbaldehyde
CID 19599916
1-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-3-[3-(2-phenylethyl)phenyl]propan-1-one;hydrochloride
CID 19600234
[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-(9H-fluoren-2-yl)methanone
CID 19600025
[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 19599989
[4-[[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]sulfonyl]phenyl]-phenylmethanone
CID 19600131
[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(4-methoxyphenyl)methanone
CID 19600124
[4-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]phenyl]-(furan-2-yl)methanone
CID 19600077
[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone
CID 19599942

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone (CID 19599902) is [4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone is CCN(CC)Cc1cc2c(o1)CN(C(=O)c1ccc(C(=O)c3ccccc3)cc1)CC2.
What is the InChIKey of [4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone?
The InChIKey is WCRRWFXZBANLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-3-27(4-2)17-23-16-22-14-15-28(18-24(22)31-23)26(30)21-12-10-20(11-13-21)25(29)19-8-6-5-7-9-19/h5-13,16H,3-4,14-15,17-18H2,1-2H3.
What are the key properties of [4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone?
[4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone has a molecular weight of 416.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylaminomethyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 19599902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).