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

C18H18ClN3O — CID 110502197

IUPAC5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(C)cn2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C18H18ClN3O/c1-4-22-15-7-6-13(19)9-14(15)12(3)17(22)18(23)21-16-8-5-11(2)10-20-16/h5-10H,4H2,1-3H3,(H,20,21,23)
InChIKeyDHILJEZWNYXVBJ-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.58
Rot. Bonds3

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

5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide (PubChem CID 110502197) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
PubChem CID110502197
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(C)cn2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C18H18ClN3O/c1-4-22-15-7-6-13(19)9-14(15)12(3)17(22)18(23)21-16-8-5-11(2)10-20-16/h5-10H,4H2,1-3H3,(H,20,21,23)
InChIKeyDHILJEZWNYXVBJ-UHFFFAOYSA-N
XLogP4.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.58
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

1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110502203
5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
5-chloro-N-(2-chloro-3-pyridinyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502209
N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 35333872
5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
CID 110497680
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501629
5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110502078
5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
CID 110497753

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide (CID 110502197) is 5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide is CCn1c(C(=O)Nc2ccc(C)cn2)c(C)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide?
The InChIKey is DHILJEZWNYXVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-4-22-15-7-6-13(19)9-14(15)12(3)17(22)18(23)21-16-8-5-11(2)10-20-16/h5-10H,4H2,1-3H3,(H,20,21,23).
What are the key properties of 5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide?
5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide has a molecular weight of 327.82 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide is sourced from PubChem (CID 110502197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).