5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide

C18H18ClN3O — CID 110497698

IUPAC5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCCn1c(C(=O)NCc2ccncc2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C18H18ClN3O/c1-3-22-16-5-4-14(19)10-15(16)12(2)17(22)18(23)21-11-13-6-8-20-9-7-13/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyZDVCTCYBAHHINZ-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.95
Rot. Bonds4

About 5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide

5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide (PubChem CID 110497698) 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-(pyridin-4-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
PubChem CID110497698
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCCn1c(C(=O)NCc2ccncc2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C18H18ClN3O/c1-3-22-16-5-4-14(19)10-15(16)12(2)17(22)18(23)21-11-13-6-8-20-9-7-13/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyZDVCTCYBAHHINZ-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-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

5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
CID 110497680
5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110497715
5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497733
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
5-chloro-N-(2-chloro-3-pyridinyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502209
5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110502197
5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110502203
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501629
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497706
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide (CID 110497698) is 5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide is CCn1c(C(=O)NCc2ccncc2)c(C)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The InChIKey is ZDVCTCYBAHHINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-3-22-16-5-4-14(19)10-15(16)12(2)17(22)18(23)21-11-13-6-8-20-9-7-13/h4-10H,3,11H2,1-2H3,(H,21,23).
What are the key properties of 5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide has a molecular weight of 327.82 g/mol, XLogP of 3.95, 4 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-(pyridin-4-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 110497698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).