2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide

C16H12ClN3O2 — CID 113208231

IUPAC2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H12ClN3O2/c17-11-1-2-14-12(7-11)13(9-19-14)15(21)16(22)20-8-10-3-5-18-6-4-10/h1-7,9,19H,8H2,(H,20,22)
InChIKeyDYLFQPSLSNUTCX-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.72
Rot. Bonds4

About 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide

2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113208231) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113208231
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(NCc1ccncc1)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H12ClN3O2/c17-11-1-2-14-12(7-11)13(9-19-14)15(21)16(22)20-8-10-3-5-18-6-4-10/h1-7,9,19H,8H2,(H,20,22)
InChIKeyDYLFQPSLSNUTCX-UHFFFAOYSA-N
XLogP2.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208230
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208767
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 113208212
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
phenyl 2-[[2-(5-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 10043843
3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 83287451
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208764
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 66831763

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide (CID 113208231) is 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide is O=C(NCc1ccncc1)C(=O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is DYLFQPSLSNUTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-11-1-2-14-12(7-11)13(9-19-14)15(21)16(22)20-8-10-3-5-18-6-4-10/h1-7,9,19H,8H2,(H,20,22).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide?
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 313.74 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113208231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).