N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide

C23H23N3O3 — CID 109245677

IUPACN-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(N3c4ccccc4CC3C)c2)cc1OC
InChIInChI=1S/C23H23N3O3/c1-15-10-16-6-4-5-7-20(16)26(15)19-11-17(13-24-14-19)23(27)25-18-8-9-21(28-2)22(12-18)29-3/h4-9,11-15H,10H2,1-3H3,(H,25,27)
InChIKeyBALWHCFISUFQPQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.43
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide (PubChem CID 109245677) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
PubChem CID109245677
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(N3c4ccccc4CC3C)c2)cc1OC
InChIInChI=1S/C23H23N3O3/c1-15-10-16-6-4-5-7-20(16)26(15)19-11-17(13-24-14-19)23(27)25-18-8-9-21(28-2)22(12-18)29-3/h4-9,11-15H,10H2,1-3H3,(H,25,27)
InChIKeyBALWHCFISUFQPQ-UHFFFAOYSA-N
XLogP4.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide (CID 109245677) is N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(N3c4ccccc4CC3C)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
The InChIKey is BALWHCFISUFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-10-16-6-4-5-7-20(16)26(15)19-11-17(13-24-14-19)23(27)25-18-8-9-21(28-2)22(12-18)29-3/h4-9,11-15H,10H2,1-3H3,(H,25,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109245677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).