7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide

C23H26N4O2 — CID 175529779

IUPAC7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide
SMILESCc1c(N)cccc1-c1cn(CCCCCCC(=O)NO)c2ccc(C#N)cc12
InChIInChI=1S/C23H26N4O2/c1-16-18(7-6-8-21(16)25)20-15-27(12-5-3-2-4-9-23(28)26-29)22-11-10-17(14-24)13-19(20)22/h6-8,10-11,13,15,29H,2-5,9,12,25H2,1H3,(H,26,28)
InChIKeyLNLXAUFPSKCDLK-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.53
Rot. Bonds8

About 7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide

7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide (PubChem CID 175529779) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide
PubChem CID175529779
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide
SMILESCc1c(N)cccc1-c1cn(CCCCCCC(=O)NO)c2ccc(C#N)cc12
InChIInChI=1S/C23H26N4O2/c1-16-18(7-6-8-21(16)25)20-15-27(12-5-3-2-4-9-23(28)26-29)22-11-10-17(14-24)13-19(20)22/h6-8,10-11,13,15,29H,2-5,9,12,25H2,1H3,(H,26,28)
InChIKeyLNLXAUFPSKCDLK-UHFFFAOYSA-N
XLogP4.53
TPSA104.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide?
The IUPAC name of 7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide (CID 175529779) is 7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide is Cc1c(N)cccc1-c1cn(CCCCCCC(=O)NO)c2ccc(C#N)cc12.
What is the InChIKey of 7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide?
The InChIKey is LNLXAUFPSKCDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-18(7-6-8-21(16)25)20-15-27(12-5-3-2-4-9-23(28)26-29)22-11-10-17(14-24)13-19(20)22/h6-8,10-11,13,15,29H,2-5,9,12,25H2,1H3,(H,26,28).
What are the key properties of 7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide?
7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide has a molecular weight of 390.49 g/mol, XLogP of 4.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-amino-2-methylphenyl)-5-cyanoindol-1-yl]-N-hydroxyheptanamide is sourced from PubChem (CID 175529779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).