N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide

C25H31N5O2 — CID 71717909

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)C1=NC=NC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H31N5O2/c1-24(2,3)18-9-11-19(12-10-18)30(23(32)20-15-27-16-28-20)21(17-8-7-13-26-14-17)22(31)29-25(4,5)6/h7-14,16,21H,15H2,1-6H3,(H,29,31)
InChIKeyQCTVBOWKIJXOCX-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.85
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide (PubChem CID 71717909) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide
PubChem CID71717909
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)C1=NC=NC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H31N5O2/c1-24(2,3)18-9-11-19(12-10-18)30(23(32)20-15-27-16-28-20)21(17-8-7-13-26-14-17)22(31)29-25(4,5)6/h7-14,16,21H,15H2,1-6H3,(H,29,31)
InChIKeyQCTVBOWKIJXOCX-UHFFFAOYSA-N
XLogP3.85
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide (CID 71717909) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide is CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)C1=NC=NC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide?
The InChIKey is QCTVBOWKIJXOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-24(2,3)18-9-11-19(12-10-18)30(23(32)20-15-27-16-28-20)21(17-8-7-13-26-14-17)22(31)29-25(4,5)6/h7-14,16,21H,15H2,1-6H3,(H,29,31).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-4H-imidazole-5-carboxamide is sourced from PubChem (CID 71717909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).