N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide

C26H22N2O2S — CID 71781300

IUPACN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide
SMILESO=C(C1c2ccccc2Oc2ccccc21)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C26H22N2O2S/c29-26(25-21-9-1-3-11-23(21)30-24-12-4-2-10-22(24)25)28(15-13-20-8-6-16-31-20)18-19-7-5-14-27-17-19/h1-12,14,16-17,25H,13,15,18H2
InChIKeyFQIDZWKRWBZEII-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.65
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide

N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide (PubChem CID 71781300) has the molecular formula C26H22N2O2S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide
PubChem CID71781300
Molecular FormulaC26H22N2O2S
Molecular Weight426.54 g/mol
Exact Mass426.14
IUPAC NameN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide
SMILESO=C(C1c2ccccc2Oc2ccccc21)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C26H22N2O2S/c29-26(25-21-9-1-3-11-23(21)30-24-12-4-2-10-22(24)25)28(15-13-20-8-6-16-31-20)18-19-7-5-14-27-17-19/h1-12,14,16-17,25H,13,15,18H2
InChIKeyFQIDZWKRWBZEII-UHFFFAOYSA-N
XLogP5.65
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide
CID 121084904
N-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-9H-xanthene-9-carboxamide
CID 43967332
1-(pyridin-3-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121085047
N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 86932688
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-9H-xanthene-9-carboxamide
CID 43967347
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084948
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-9H-xanthene-9-carboxamide
CID 4783938
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110360844
4-bromo-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085018
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 121084962
N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60558345

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide (CID 71781300) is N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide is O=C(C1c2ccccc2Oc2ccccc21)N(CCc1cccs1)Cc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide?
The InChIKey is FQIDZWKRWBZEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2S/c29-26(25-21-9-1-3-11-23(21)30-24-12-4-2-10-22(24)25)28(15-13-20-8-6-16-31-20)18-19-7-5-14-27-17-19/h1-12,14,16-17,25H,13,15,18H2.
What are the key properties of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide?
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 71781300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).