N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide

C26H30N4O5 — CID 644391

IUPACN-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC(C)(C)C)c1ccncc1
InChIInChI=1S/C26H30N4O5/c1-5-34-20-10-7-6-9-19(20)30(22(31)17-28-24(32)21-11-8-16-35-21)23(18-12-14-27-15-13-18)25(33)29-26(2,3)4/h6-16,23H,5,17H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyQVXGTWCRMSLJQL-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.49
Rot. Bonds9

About N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 644391) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID644391
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC NameN-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC(C)(C)C)c1ccncc1
InChIInChI=1S/C26H30N4O5/c1-5-34-20-10-7-6-9-19(20)30(22(31)17-28-24(32)21-11-8-16-35-21)23(18-12-14-27-15-13-18)25(33)29-26(2,3)4/h6-16,23H,5,17H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyQVXGTWCRMSLJQL-UHFFFAOYSA-N
XLogP3.49
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide 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-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide (CID 644391) is N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide is CCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC(C)(C)C)c1ccncc1.
What is the InChIKey of N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is QVXGTWCRMSLJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-5-34-20-10-7-6-9-19(20)30(22(31)17-28-24(32)21-11-8-16-35-21)23(18-12-14-27-15-13-18)25(33)29-26(2,3)4/h6-16,23H,5,17H2,1-4H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 644391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).