N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide

C23H22N6O2 — CID 157254831

IUPACN-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CC(CN=[N+]=[N-])C3)ccn1
InChIInChI=1S/C23H22N6O2/c1-14(30)27-21-12-17(7-8-25-21)23-18(9-15-5-3-2-4-6-15)22-19(28-23)10-16(11-20(22)31)13-26-29-24/h2-8,12,16,28H,9-11,13H2,1H3,(H,25,27,30)
InChIKeyAWTNKEAXBODOOI-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.68
Rot. Bonds6

About N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide

N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide (PubChem CID 157254831) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
PubChem CID157254831
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CC(CN=[N+]=[N-])C3)ccn1
InChIInChI=1S/C23H22N6O2/c1-14(30)27-21-12-17(7-8-25-21)23-18(9-15-5-3-2-4-6-15)22-19(28-23)10-16(11-20(22)31)13-26-29-24/h2-8,12,16,28H,9-11,13H2,1H3,(H,25,27,30)
InChIKeyAWTNKEAXBODOOI-UHFFFAOYSA-N
XLogP4.68
TPSA123.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide (CID 157254831) is N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CC(CN=[N+]=[N-])C3)ccn1.
What is the InChIKey of N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide?
The InChIKey is AWTNKEAXBODOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-14(30)27-21-12-17(7-8-25-21)23-18(9-15-5-3-2-4-6-15)22-19(28-23)10-16(11-20(22)31)13-26-29-24/h2-8,12,16,28H,9-11,13H2,1H3,(H,25,27,30).
What are the key properties of N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide?
N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(azidomethyl)-3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 157254831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).