N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide

C22H17N3O2 — CID 15603079

IUPACN-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)c2ccncc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C22H17N3O2/c1-14(26)25-18-12-16(19-3-2-4-21-20(19)7-10-24-21)11-17(13-18)22(27)15-5-8-23-9-6-15/h2-13,24H,1H3,(H,25,26)
InChIKeyQAWLIBANFYPAKR-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.42
Rot. Bonds4

About N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide

N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide (PubChem CID 15603079) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide
PubChem CID15603079
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)c2ccncc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C22H17N3O2/c1-14(26)25-18-12-16(19-3-2-4-21-20(19)7-10-24-21)11-17(13-18)22(27)15-5-8-23-9-6-15/h2-13,24H,1H3,(H,25,26)
InChIKeyQAWLIBANFYPAKR-UHFFFAOYSA-N
XLogP4.42
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide (CID 15603079) is N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide is CC(=O)Nc1cc(C(=O)c2ccncc2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide?
The InChIKey is QAWLIBANFYPAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-14(26)25-18-12-16(19-3-2-4-21-20(19)7-10-24-21)11-17(13-18)22(27)15-5-8-23-9-6-15/h2-13,24H,1H3,(H,25,26).
What are the key properties of N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide?
N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 15603079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).