3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide

C23H19ClN4O3 — CID 10433086

IUPAC3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide
SMILESO=C(NCCNC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C23H19ClN4O3/c24-19-14-27-20-13-16(6-9-18(19)20)23(31)26-11-10-25-22(30)15-4-7-17(8-5-15)28-12-2-1-3-21(28)29/h1-9,12-14,27H,10-11H2,(H,25,30)(H,26,31)
InChIKeyLLSUNCCQDYHQGL-UHFFFAOYSA-N
MW434.88 g/mol
LogP3.13
Rot. Bonds6

About 3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide

3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide (PubChem CID 10433086) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide
PubChem CID10433086
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide
SMILESO=C(NCCNC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C23H19ClN4O3/c24-19-14-27-20-13-16(6-9-18(19)20)23(31)26-11-10-25-22(30)15-4-7-17(8-5-15)28-12-2-1-3-21(28)29/h1-9,12-14,27H,10-11H2,(H,25,30)(H,26,31)
InChIKeyLLSUNCCQDYHQGL-UHFFFAOYSA-N
XLogP3.13
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide (CID 10433086) is 3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide is O=C(NCCNC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide?
The InChIKey is LLSUNCCQDYHQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c24-19-14-27-20-13-16(6-9-18(19)20)23(31)26-11-10-25-22(30)15-4-7-17(8-5-15)28-12-2-1-3-21(28)29/h1-9,12-14,27H,10-11H2,(H,25,30)(H,26,31).
What are the key properties of 3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide?
3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide has a molecular weight of 434.88 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 10433086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).