4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide

C23H25N3O — CID 20908838

IUPAC4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NCc3cccnc3)cc1)CCC(C)C2
InChIInChI=1S/C23H25N3O/c1-16-5-10-22-20(12-16)13-17(2)26(22)21-8-6-19(7-9-21)23(27)25-15-18-4-3-11-24-14-18/h3-4,6-9,11,13-14,16H,5,10,12,15H2,1-2H3,(H,25,27)
InChIKeyFBGRYOIVNLNDMQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.24
Rot. Bonds4

About 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide

4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 20908838) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID20908838
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NCc3cccnc3)cc1)CCC(C)C2
InChIInChI=1S/C23H25N3O/c1-16-5-10-22-20(12-16)13-17(2)26(22)21-8-6-19(7-9-21)23(27)25-15-18-4-3-11-24-14-18/h3-4,6-9,11,13-14,16H,5,10,12,15H2,1-2H3,(H,25,27)
InChIKeyFBGRYOIVNLNDMQ-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 20908874
4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide
CID 20908852
N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 25097528
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
CID 52986188
(1R,6S)-3,4-dimethyl-6-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1130084
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 109060909
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26277410
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 20908838) is 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide is Cc1cc2c(n1-c1ccc(C(=O)NCc3cccnc3)cc1)CCC(C)C2.
What is the InChIKey of 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is FBGRYOIVNLNDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-5-10-22-20(12-16)13-17(2)26(22)21-8-6-19(7-9-21)23(27)25-15-18-4-3-11-24-14-18/h3-4,6-9,11,13-14,16H,5,10,12,15H2,1-2H3,(H,25,27).
What are the key properties of 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide?
4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 359.47 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 20908838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).