N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide

C23H22N4O — CID 113017273

IUPACN-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1cccc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cn2)c1C
InChIInChI=1S/C23H22N4O/c1-15-6-5-9-20(16(15)2)27-22-11-10-18(14-25-22)26-23(28)12-17-13-24-21-8-4-3-7-19(17)21/h3-11,13-14,24H,12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQLOQXCCXIKJELR-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.10
Rot. Bonds5

About N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide

N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113017273) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113017273
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1cccc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cn2)c1C
InChIInChI=1S/C23H22N4O/c1-15-6-5-9-20(16(15)2)27-22-11-10-18(14-25-22)26-23(28)12-17-13-24-21-8-4-3-7-19(17)21/h3-11,13-14,24H,12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQLOQXCCXIKJELR-UHFFFAOYSA-N
XLogP5.10
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-ethoxyanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113019606
N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113018608
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017295
N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113009220
2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
CID 113023581
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113017296
N-[6-(2,3-dimethylanilino)-3-pyridinyl]pentanamide
CID 113017248
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113036437
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113046653
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045828
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 28901497
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113017290

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide (CID 113017273) is N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide is Cc1cccc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cn2)c1C.
What is the InChIKey of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is QLOQXCCXIKJELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-6-5-9-20(16(15)2)27-22-11-10-18(14-25-22)26-23(28)12-17-13-24-21-8-4-3-7-19(17)21/h3-11,13-14,24H,12H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide?
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 370.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113017273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).