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

C30H32FN5O2 — CID 156906914

IUPACN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C30H32FN5O2/c1-30(2,3)23-10-12-25(13-11-23)36(29(38)26-19-33-20-35(26)4)27(22-8-6-15-32-18-22)28(37)34-16-14-21-7-5-9-24(31)17-21/h5-13,15,17-20,27H,14,16H2,1-4H3,(H,34,37)
InChIKeyUOSVNXJCTDYJHF-UHFFFAOYSA-N
MW513.62 g/mol
LogP5.00
Rot. Bonds8

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

N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide (PubChem CID 156906914) has the molecular formula C30H32FN5O2 and a molecular weight of 513.62 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide
PubChem CID156906914
Molecular FormulaC30H32FN5O2
Molecular Weight513.62 g/mol
Exact Mass513.25
IUPAC NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C30H32FN5O2/c1-30(2,3)23-10-12-25(13-11-23)36(29(38)26-19-33-20-35(26)4)27(22-8-6-15-32-18-22)28(37)34-16-14-21-7-5-9-24(31)17-21/h5-13,15,17-20,27H,14,16H2,1-4H3,(H,34,37)
InChIKeyUOSVNXJCTDYJHF-UHFFFAOYSA-N
XLogP5.00
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide (CID 156906914) is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide?
The InChIKey is UOSVNXJCTDYJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O2/c1-30(2,3)23-10-12-25(13-11-23)36(29(38)26-19-33-20-35(26)4)27(22-8-6-15-32-18-22)28(37)34-16-14-21-7-5-9-24(31)17-21/h5-13,15,17-20,27H,14,16H2,1-4H3,(H,34,37).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide?
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-3-methylimidazole-4-carboxamide has a molecular weight of 513.62 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 156906914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).