1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide

C18H19N3O2 — CID 110764380

IUPAC1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C18H19N3O2/c1-18(2)14-9-13(6-7-15(14)21(3)17(18)23)16(22)20-11-12-5-4-8-19-10-12/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyOVBDWUMBIMVWLQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.27
Rot. Bonds3

About 1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide

1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide (PubChem CID 110764380) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide.

Molecular Properties

Compound Name1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
PubChem CID110764380
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C18H19N3O2/c1-18(2)14-9-13(6-7-15(14)21(3)17(18)23)16(22)20-11-12-5-4-8-19-10-12/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyOVBDWUMBIMVWLQ-UHFFFAOYSA-N
XLogP2.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
CID 52986188
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 98020122
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 42228036
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155830759
1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 7392853
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 71429790
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide?
The IUPAC name of 1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide (CID 110764380) is 1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide.
What is the SMILES notation for 1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide?
The canonical SMILES for 1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide is CN1C(=O)C(C)(C)c2cc(C(=O)NCc3cccnc3)ccc21.
What is the InChIKey of 1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide?
The InChIKey is OVBDWUMBIMVWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(2)14-9-13(6-7-15(14)21(3)17(18)23)16(22)20-11-12-5-4-8-19-10-12/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of 1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide?
1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide is sourced from PubChem (CID 110764380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).