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

C29H30FN5O2 — CID 156907054

IUPACN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C29H30FN5O2/c1-29(2,3)22-9-11-24(12-10-22)35(28(37)25-18-32-19-34-25)26(21-7-5-14-31-17-21)27(36)33-15-13-20-6-4-8-23(30)16-20/h4-12,14,16-19,26H,13,15H2,1-3H3,(H,32,34)(H,33,36)
InChIKeyYFVNUYLPSADEEV-UHFFFAOYSA-N
MW499.59 g/mol
LogP4.99
Rot. Bonds8

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

N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (PubChem CID 156907054) has the molecular formula C29H30FN5O2 and a molecular weight of 499.59 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
PubChem CID156907054
Molecular FormulaC29H30FN5O2
Molecular Weight499.59 g/mol
Exact Mass499.24
IUPAC NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C29H30FN5O2/c1-29(2,3)22-9-11-24(12-10-22)35(28(37)25-18-32-19-34-25)26(21-7-5-14-31-17-21)27(36)33-15-13-20-6-4-8-23(30)16-20/h4-12,14,16-19,26H,13,15H2,1-3H3,(H,32,34)(H,33,36)
InChIKeyYFVNUYLPSADEEV-UHFFFAOYSA-N
XLogP4.99
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (CID 156907054) is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The InChIKey is YFVNUYLPSADEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O2/c1-29(2,3)22-9-11-24(12-10-22)35(28(37)25-18-32-19-34-25)26(21-7-5-14-31-17-21)27(36)33-15-13-20-6-4-8-23(30)16-20/h4-12,14,16-19,26H,13,15H2,1-3H3,(H,32,34)(H,33,36).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156907054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).