1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide

C19H21N3O — CID 35524105

IUPAC1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NCc3ccccn3)ccc21
InChIInChI=1S/C19H21N3O/c1-4-22-14(3)13(2)17-11-15(8-9-18(17)22)19(23)21-12-16-7-5-6-10-20-16/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyPHGRRNTTZSNAOP-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.60
Rot. Bonds4

About 1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide

1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide (PubChem CID 35524105) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
PubChem CID35524105
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NCc3ccccn3)ccc21
InChIInChI=1S/C19H21N3O/c1-4-22-14(3)13(2)17-11-15(8-9-18(17)22)19(23)21-12-16-7-5-6-10-20-16/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyPHGRRNTTZSNAOP-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 95749522
1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide
CID 20940113
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
ethyl 1-ethyl-3,5-dimethyl-4-(pyridin-2-ylmethylcarbamoyl)pyrrole-2-carboxylate
CID 3243321
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
2,3-dipropyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 152760188
1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940085
N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 35333872
3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 42810255

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide?
The IUPAC name of 1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide (CID 35524105) is 1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide?
The canonical SMILES for 1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide is CCn1c(C)c(C)c2cc(C(=O)NCc3ccccn3)ccc21.
What is the InChIKey of 1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide?
The InChIKey is PHGRRNTTZSNAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-22-14(3)13(2)17-11-15(8-9-18(17)22)19(23)21-12-16-7-5-6-10-20-16/h5-11H,4,12H2,1-3H3,(H,21,23).
What are the key properties of 1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide?
1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide is sourced from PubChem (CID 35524105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).