1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide

C18H19N3O — CID 110501570

IUPAC1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(C)cn2)c(C)c2ccccc21
InChIInChI=1S/C18H19N3O/c1-4-21-15-8-6-5-7-14(15)13(3)17(21)18(22)20-16-10-9-12(2)11-19-16/h5-11H,4H2,1-3H3,(H,19,20,22)
InChIKeyXPMGESFMJXZYSW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.93
Rot. Bonds3

About 1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide

1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide (PubChem CID 110501570) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
PubChem CID110501570
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(C)cn2)c(C)c2ccccc21
InChIInChI=1S/C18H19N3O/c1-4-21-15-8-6-5-7-14(15)13(3)17(21)18(22)20-16-10-9-12(2)11-19-16/h5-11H,4H2,1-3H3,(H,19,20,22)
InChIKeyXPMGESFMJXZYSW-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110502197
1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110501576
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501591
N-(5-methyl-2-pyridinyl)naphthalene-1-carboxamide
CID 673887
N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501443
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
1-butyl-3-methyl-N-(4-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501362
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 110501424
1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
CID 110501404
1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide
CID 110497414

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide (CID 110501570) is 1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide is CCn1c(C(=O)Nc2ccc(C)cn2)c(C)c2ccccc21.
What is the InChIKey of 1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide?
The InChIKey is XPMGESFMJXZYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-21-15-8-6-5-7-14(15)13(3)17(21)18(22)20-16-10-9-12(2)11-19-16/h5-11H,4H2,1-3H3,(H,19,20,22).
What are the key properties of 1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide?
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide is sourced from PubChem (CID 110501570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).