5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide

C20H23ClN4O2 — CID 67416027

IUPAC5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(NCCCOC)nc2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN4O2/c1-3-25-17-7-5-15(21)11-14(17)12-18(25)20(26)24-16-6-8-19(23-13-16)22-9-4-10-27-2/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,23)(H,24,26)
InChIKeySIRDWCADQZYAMC-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.41
Rot. Bonds8

About 5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide

5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide (PubChem CID 67416027) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide
PubChem CID67416027
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(NCCCOC)nc2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H23ClN4O2/c1-3-25-17-7-5-15(21)11-14(17)12-18(25)20(26)24-16-6-8-19(23-13-16)22-9-4-10-27-2/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,23)(H,24,26)
InChIKeySIRDWCADQZYAMC-UHFFFAOYSA-N
XLogP4.41
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-acetamido-1-ethyl-N-[5-(methoxyamino)-2-pyridinyl]indole-2-carboxamide
CID 142226306
N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
CID 113010443
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
5-chloro-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1-methylindole-2-carboxamide
CID 59365159
N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109153220
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
N-(5-chloro-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184481
1-(5-chloro-1-ethylindol-2-yl)ethanone
CID 117121607
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
CID 113010486

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide?
The IUPAC name of 5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide (CID 67416027) is 5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide is CCn1c(C(=O)Nc2ccc(NCCCOC)nc2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide?
The InChIKey is SIRDWCADQZYAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-3-25-17-7-5-15(21)11-14(17)12-18(25)20(26)24-16-6-8-19(23-13-16)22-9-4-10-27-2/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of 5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide?
5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide is sourced from PubChem (CID 67416027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).