1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide

C16H15N3O — CID 145363454

IUPAC1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide
SMILESCc1cn(C)c2ccc(C(=O)Nc3cccnc3)cc12
InChIInChI=1S/C16H15N3O/c1-11-10-19(2)15-6-5-12(8-14(11)15)16(20)18-13-4-3-7-17-9-13/h3-10H,1-2H3,(H,18,20)
InChIKeyOTWKELYRGNYGED-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.13
Rot. Bonds2

About 1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide

1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide (PubChem CID 145363454) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide
PubChem CID145363454
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide
SMILESCc1cn(C)c2ccc(C(=O)Nc3cccnc3)cc12
InChIInChI=1S/C16H15N3O/c1-11-10-19(2)15-6-5-12(8-14(11)15)16(20)18-13-4-3-7-17-9-13/h3-10H,1-2H3,(H,18,20)
InChIKeyOTWKELYRGNYGED-UHFFFAOYSA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-3-methyl-N-pyridin-3-ylbenzamide
CID 63212144
1,3-dimethylindole-5-carbohydrazide
CID 169299009
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-methyl-1,3-dioxo-N-pyridin-3-ylisoindole-5-carboxamide
CID 973223
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
CID 63210058
4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide
CID 66634725
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
2-methoxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 84580431
[4-(pyridin-3-ylcarbamoyl)phenyl] 1-methylindole-4-carboxylate
CID 86882782

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide (CID 145363454) is 1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide is Cc1cn(C)c2ccc(C(=O)Nc3cccnc3)cc12.
What is the InChIKey of 1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide?
The InChIKey is OTWKELYRGNYGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-10-19(2)15-6-5-12(8-14(11)15)16(20)18-13-4-3-7-17-9-13/h3-10H,1-2H3,(H,18,20).
What are the key properties of 1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide?
1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide is sourced from PubChem (CID 145363454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).