N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide

C22H21N5O — CID 71899303

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)n1
InChIInChI=1S/C22H21N5O/c1-14-13-15(2)24-22(23-14)26-25-21(28)19-17-11-7-8-12-18(17)27(3)20(19)16-9-5-4-6-10-16/h4-13H,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyRQJSWKOSJRYAQA-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.01
Rot. Bonds4

About N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide (PubChem CID 71899303) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide
PubChem CID71899303
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)n1
InChIInChI=1S/C22H21N5O/c1-14-13-15(2)24-22(23-14)26-25-21(28)19-17-11-7-8-12-18(17)27(3)20(19)16-9-5-4-6-10-16/h4-13H,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyRQJSWKOSJRYAQA-UHFFFAOYSA-N
XLogP4.01
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide (CID 71899303) is N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide is Cc1cc(C)nc(NNC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide?
The InChIKey is RQJSWKOSJRYAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-13-15(2)24-22(23-14)26-25-21(28)19-17-11-7-8-12-18(17)27(3)20(19)16-9-5-4-6-10-16/h4-13H,1-3H3,(H,25,28)(H,23,24,26).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide has a molecular weight of 371.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-1-methyl-2-phenylindole-3-carbohydrazide is sourced from PubChem (CID 71899303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).