N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide

C24H24FN3O3 — CID 3191388

IUPACN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O3/c25-18-8-10-20(11-9-18)28(24(30)21-7-4-16-31-21)22(17-12-14-26-15-13-17)23(29)27-19-5-2-1-3-6-19/h4,7-16,19,22H,1-3,5-6H2,(H,27,29)
InChIKeyLQZGYLHPCGOTHJ-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.65
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 3191388) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide
PubChem CID3191388
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O3/c25-18-8-10-20(11-9-18)28(24(30)21-7-4-16-31-21)22(17-12-14-26-15-13-17)23(29)27-19-5-2-1-3-6-19/h4,7-16,19,22H,1-3,5-6H2,(H,27,29)
InChIKeyLQZGYLHPCGOTHJ-UHFFFAOYSA-N
XLogP4.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide (CID 3191388) is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide is O=C(NC1CCCCC1)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is LQZGYLHPCGOTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-18-8-10-20(11-9-18)28(24(30)21-7-4-16-31-21)22(17-12-14-26-15-13-17)23(29)27-19-5-2-1-3-6-19/h4,7-16,19,22H,1-3,5-6H2,(H,27,29).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 3191388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).