N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide

C27H36N4O2 — CID 53323238

IUPACN-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide
SMILESCC(C)(C)NC(=O)C(c1ccccn1)n1ccc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C27H36N4O2/c1-25(2,3)29-23(32)22(20-11-9-10-15-28-20)31-16-14-18-17-19(12-13-21(18)31)27(7,8)24(33)30-26(4,5)6/h9-17,22H,1-8H3,(H,29,32)(H,30,33)
InChIKeyWBRMXFKTCZLINW-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.73
Rot. Bonds5

About N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide

N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide (PubChem CID 53323238) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide
PubChem CID53323238
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC NameN-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide
SMILESCC(C)(C)NC(=O)C(c1ccccn1)n1ccc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C27H36N4O2/c1-25(2,3)29-23(32)22(20-11-9-10-15-28-20)31-16-14-18-17-19(12-13-21(18)31)27(7,8)24(33)30-26(4,5)6/h9-17,22H,1-8H3,(H,29,32)(H,30,33)
InChIKeyWBRMXFKTCZLINW-UHFFFAOYSA-N
XLogP4.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide?
The IUPAC name of N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide (CID 53323238) is N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide is CC(C)(C)NC(=O)C(c1ccccn1)n1ccc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21.
What is the InChIKey of N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide?
The InChIKey is WBRMXFKTCZLINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-25(2,3)29-23(32)22(20-11-9-10-15-28-20)31-16-14-18-17-19(12-13-21(18)31)27(7,8)24(33)30-26(4,5)6/h9-17,22H,1-8H3,(H,29,32)(H,30,33).
What are the key properties of N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide?
N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide has a molecular weight of 448.61 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]indol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 53323238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).