6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C23H17ClN4O3 — CID 10181259

IUPAC6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc1
InChIInChI=1S/C23H17ClN4O3/c24-16-8-5-14(6-9-16)12-28-13-18(17-3-1-2-4-19(17)28)21(29)23(31)27-20-10-7-15(11-26-20)22(25)30/h1-11,13H,12H2,(H2,25,30)(H,26,27,31)
InChIKeyIKDXPKXHVVANIB-UHFFFAOYSA-N
MW432.87 g/mol
LogP3.66
Rot. Bonds6

About 6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 10181259) has the molecular formula C23H17ClN4O3 and a molecular weight of 432.87 g/mol. Its IUPAC name is 6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID10181259
Molecular FormulaC23H17ClN4O3
Molecular Weight432.87 g/mol
Exact Mass432.10
IUPAC Name6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc1
InChIInChI=1S/C23H17ClN4O3/c24-16-8-5-14(6-9-16)12-28-13-18(17-3-1-2-4-19(17)28)21(29)23(31)27-20-10-7-15(11-26-20)22(25)30/h1-11,13H,12H2,(H2,25,30)(H,26,27,31)
InChIKeyIKDXPKXHVVANIB-UHFFFAOYSA-N
XLogP3.66
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 10181259) is 6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is NC(=O)c1ccc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc1.
What is the InChIKey of 6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is IKDXPKXHVVANIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O3/c24-16-8-5-14(6-9-16)12-28-13-18(17-3-1-2-4-19(17)28)21(29)23(31)27-20-10-7-15(11-26-20)22(25)30/h1-11,13H,12H2,(H2,25,30)(H,26,27,31).
What are the key properties of 6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 432.87 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 10181259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).