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

C26H33N5O2 — CID 51003643

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(c2ccc(C(C)(C)C)cc2)C(C(=O)NC(C)(C)C)c2cccnc2)c1
InChIInChI=1S/C26H33N5O2/c1-25(2,3)19-10-12-20(13-11-19)31(24(33)21-16-30(7)17-28-21)22(18-9-8-14-27-15-18)23(32)29-26(4,5)6/h8-17,22H,1-7H3,(H,29,32)
InChIKeyAPPUOGWEGCGBON-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.42
Rot. Bonds5

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

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide (PubChem CID 51003643) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide
PubChem CID51003643
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(c2ccc(C(C)(C)C)cc2)C(C(=O)NC(C)(C)C)c2cccnc2)c1
InChIInChI=1S/C26H33N5O2/c1-25(2,3)19-10-12-20(13-11-19)31(24(33)21-16-30(7)17-28-21)22(18-9-8-14-27-15-18)23(32)29-26(4,5)6/h8-17,22H,1-7H3,(H,29,32)
InChIKeyAPPUOGWEGCGBON-UHFFFAOYSA-N
XLogP4.42
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.42
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)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide (CID 51003643) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N(c2ccc(C(C)(C)C)cc2)C(C(=O)NC(C)(C)C)c2cccnc2)c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is APPUOGWEGCGBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-25(2,3)19-10-12-20(13-11-19)31(24(33)21-16-30(7)17-28-21)22(18-9-8-14-27-15-18)23(32)29-26(4,5)6/h8-17,22H,1-7H3,(H,29,32).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.42, 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)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 51003643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).