2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C18H18N4O — CID 5339530

IUPAC2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCc1ccc2[nH]c(C)c(CC(=O)N/N=C/c3cccnc3)c2c1
InChIInChI=1S/C18H18N4O/c1-12-5-6-17-16(8-12)15(13(2)21-17)9-18(23)22-20-11-14-4-3-7-19-10-14/h3-8,10-11,21H,9H2,1-2H3,(H,22,23)/b20-11+
InChIKeySCFZVJLYHYFQIL-RGVLZGJSSA-N
MW306.37 g/mol
LogP2.87
Rot. Bonds4

About 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 5339530) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID5339530
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCc1ccc2[nH]c(C)c(CC(=O)N/N=C/c3cccnc3)c2c1
InChIInChI=1S/C18H18N4O/c1-12-5-6-17-16(8-12)15(13(2)21-17)9-18(23)22-20-11-14-4-3-7-19-10-14/h3-8,10-11,21H,9H2,1-2H3,(H,22,23)/b20-11+
InChIKeySCFZVJLYHYFQIL-RGVLZGJSSA-N
XLogP2.87
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 764281
4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide
CID 6898309
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(Z)-[(3S)-3-hydroxybutan-2-ylidene]amino]acetamide
CID 7317749
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide
CID 3655714
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
2-(2-methylquinolin-4-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5410271
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 42992721

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 5339530) is 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is Cc1ccc2[nH]c(C)c(CC(=O)N/N=C/c3cccnc3)c2c1.
What is the InChIKey of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is SCFZVJLYHYFQIL-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-5-6-17-16(8-12)15(13(2)21-17)9-18(23)22-20-11-14-4-3-7-19-10-14/h3-8,10-11,21H,9H2,1-2H3,(H,22,23)/b20-11+.
What are the key properties of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 306.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 5339530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).