1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide

C19H21N3O — CID 110501801

IUPAC1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1cccnc1)n2CC
InChIInChI=1S/C19H21N3O/c1-4-14-8-9-17-16(11-14)13(3)18(22(17)5-2)19(23)21-15-7-6-10-20-12-15/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyJXOKWTYTBQLGBJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.18
Rot. Bonds4

About 1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide

1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide (PubChem CID 110501801) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide.

Molecular Properties

Compound Name1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide
PubChem CID110501801
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1cccnc1)n2CC
InChIInChI=1S/C19H21N3O/c1-4-14-8-9-17-16(11-14)13(3)18(22(17)5-2)19(23)21-15-7-6-10-20-12-15/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyJXOKWTYTBQLGBJ-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.18
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

N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501716
ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501627
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501763
N-(2,4-dimethylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501710
1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 110501633
1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide
CID 110501729
N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501681
1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501721
N-(2-bromo-4-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501795
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501629
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide
CID 110497470

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide?
The IUPAC name of 1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide (CID 110501801) is 1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide.
What is the SMILES notation for 1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide?
The canonical SMILES for 1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide is CCc1ccc2c(c1)c(C)c(C(=O)Nc1cccnc1)n2CC.
What is the InChIKey of 1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide?
The InChIKey is JXOKWTYTBQLGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-14-8-9-17-16(11-14)13(3)18(22(17)5-2)19(23)21-15-7-6-10-20-12-15/h6-12H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide?
1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide is sourced from PubChem (CID 110501801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).