4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide

C27H28N4O2 — CID 50750851

IUPAC4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3[nH]c(C)c(C(c4ccccn4)N4CCOCC4)c3c2)cc1
InChIInChI=1S/C27H28N4O2/c1-18-6-8-20(9-7-18)27(32)30-21-10-11-23-22(17-21)25(19(2)29-23)26(24-5-3-4-12-28-24)31-13-15-33-16-14-31/h3-12,17,26,29H,13-16H2,1-2H3,(H,30,32)
InChIKeyNHVCMZVZKRHZAP-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.85
Rot. Bonds5

About 4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide

4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide (PubChem CID 50750851) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
PubChem CID50750851
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3[nH]c(C)c(C(c4ccccn4)N4CCOCC4)c3c2)cc1
InChIInChI=1S/C27H28N4O2/c1-18-6-8-20(9-7-18)27(32)30-21-10-11-23-22(17-21)25(19(2)29-23)26(24-5-3-4-12-28-24)31-13-15-33-16-14-31/h3-12,17,26,29H,13-16H2,1-2H3,(H,30,32)
InChIKeyNHVCMZVZKRHZAP-UHFFFAOYSA-N
XLogP4.85
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
The IUPAC name of 4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide (CID 50750851) is 4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
The canonical SMILES for 4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide is Cc1ccc(C(=O)Nc2ccc3[nH]c(C)c(C(c4ccccn4)N4CCOCC4)c3c2)cc1.
What is the InChIKey of 4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
The InChIKey is NHVCMZVZKRHZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-18-6-8-20(9-7-18)27(32)30-21-10-11-23-22(17-21)25(19(2)29-23)26(24-5-3-4-12-28-24)31-13-15-33-16-14-31/h3-12,17,26,29H,13-16H2,1-2H3,(H,30,32).
What are the key properties of 4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide?
4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide has a molecular weight of 440.55 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 50750851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).