N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide

C18H18ClN3O — CID 35333872

IUPACN-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Cl)cn3)ccc21
InChIInChI=1S/C18H18ClN3O/c1-4-22-12(3)11(2)15-9-13(5-7-16(15)22)18(23)21-17-8-6-14(19)10-20-17/h5-10H,4H2,1-3H3,(H,20,21,23)
InChIKeyIBMUMWGKWLOMRL-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.58
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide

N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide (PubChem CID 35333872) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide
PubChem CID35333872
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Cl)cn3)ccc21
InChIInChI=1S/C18H18ClN3O/c1-4-22-12(3)11(2)15-9-13(5-7-16(15)22)18(23)21-17-8-6-14(19)10-20-17/h5-10H,4H2,1-3H3,(H,20,21,23)
InChIKeyIBMUMWGKWLOMRL-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

5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110502197
N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
1-benzyl-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dimethylindole-5-carboxamide
CID 19283645
N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
CID 63210683
[4-(4-chlorophenyl)piperazin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
CID 95754456
1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
CID 35524105
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
CID 2988082
N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111228
1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide
CID 20940113
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide (CID 35333872) is N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide is CCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Cl)cn3)ccc21.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide?
The InChIKey is IBMUMWGKWLOMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-4-22-12(3)11(2)15-9-13(5-7-16(15)22)18(23)21-17-8-6-14(19)10-20-17/h5-10H,4H2,1-3H3,(H,20,21,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide?
N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-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 N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide is sourced from PubChem (CID 35333872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).