N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide

C26H25N5O3 — CID 53308720

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C26H25N5O3/c1-26(2,3)30-24(32)23(19-6-4-12-27-14-19)31(25(33)22-7-5-13-34-22)21-10-8-18(9-11-21)20-15-28-17-29-16-20/h4-17,23H,1-3H3,(H,30,32)
InChIKeyYFPVKUORQBMYHE-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.43
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide (PubChem CID 53308720) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide
PubChem CID53308720
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C26H25N5O3/c1-26(2,3)30-24(32)23(19-6-4-12-27-14-19)31(25(33)22-7-5-13-34-22)21-10-8-18(9-11-21)20-15-28-17-29-16-20/h4-17,23H,1-3H3,(H,30,32)
InChIKeyYFPVKUORQBMYHE-UHFFFAOYSA-N
XLogP4.43
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)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-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide (CID 53308720) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide is CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide?
The InChIKey is YFPVKUORQBMYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-26(2,3)30-24(32)23(19-6-4-12-27-14-19)31(25(33)22-7-5-13-34-22)21-10-8-18(9-11-21)20-15-28-17-29-16-20/h4-17,23H,1-3H3,(H,30,32).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 53308720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).