N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide

C24H23N3O2 — CID 109092172

IUPACN-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C(=O)N3c4ccccc4CC3C)ccn2)c1C
InChIInChI=1S/C24H23N3O2/c1-15-7-6-9-20(17(15)3)26-23(28)21-14-19(11-12-25-21)24(29)27-16(2)13-18-8-4-5-10-22(18)27/h4-12,14,16H,13H2,1-3H3,(H,26,28)
InChIKeyBWTWCIFHHMYHDP-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.54
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide

N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109092172) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
PubChem CID109092172
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C(=O)N3c4ccccc4CC3C)ccn2)c1C
InChIInChI=1S/C24H23N3O2/c1-15-7-6-9-20(17(15)3)26-23(28)21-14-19(11-12-25-21)24(29)27-16(2)13-18-8-4-5-10-22(18)27/h4-12,14,16H,13H2,1-3H3,(H,26,28)
InChIKeyBWTWCIFHHMYHDP-UHFFFAOYSA-N
XLogP4.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide (CID 109092172) is N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2cc(C(=O)N3c4ccccc4CC3C)ccn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is BWTWCIFHHMYHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-15-7-6-9-20(17(15)3)26-23(28)21-14-19(11-12-25-21)24(29)27-16(2)13-18-8-4-5-10-22(18)27/h4-12,14,16H,13H2,1-3H3,(H,26,28).
What are the key properties of N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109092172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).