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

C30H29ClFN3O3 — CID 156907055

IUPACN-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2ccc(Cl)o2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C30H29ClFN3O3/c1-30(2,3)22-9-11-24(12-10-22)35(29(37)25-13-14-26(31)38-25)27(21-7-5-16-33-19-21)28(36)34-17-15-20-6-4-8-23(32)18-20/h4-14,16,18-19,27H,15,17H2,1-3H3,(H,34,36)
InChIKeyFLTATSNCGZWHJB-UHFFFAOYSA-N
MW534.03 g/mol
LogP6.51
Rot. Bonds8

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

N-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 156907055) has the molecular formula C30H29ClFN3O3 and a molecular weight of 534.03 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID156907055
Molecular FormulaC30H29ClFN3O3
Molecular Weight534.03 g/mol
Exact Mass533.19
IUPAC NameN-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2ccc(Cl)o2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C30H29ClFN3O3/c1-30(2,3)22-9-11-24(12-10-22)35(29(37)25-13-14-26(31)38-25)27(21-7-5-16-33-19-21)28(36)34-17-15-20-6-4-8-23(32)18-20/h4-14,16,18-19,27H,15,17H2,1-3H3,(H,34,36)
InChIKeyFLTATSNCGZWHJB-UHFFFAOYSA-N
XLogP6.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.03
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide (CID 156907055) is N-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2ccc(Cl)o2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is FLTATSNCGZWHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClFN3O3/c1-30(2,3)22-9-11-24(12-10-22)35(29(37)25-13-14-26(31)38-25)27(21-7-5-16-33-19-21)28(36)34-17-15-20-6-4-8-23(32)18-20/h4-14,16,18-19,27H,15,17H2,1-3H3,(H,34,36).
What are the key properties of N-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide?
N-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 534.03 g/mol, XLogP of 6.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 156907055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).