N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C25H26FN3O3 — CID 3206071

IUPACN-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C25H26FN3O3/c26-19-13-11-18(12-14-19)23(24(30)28-20-7-2-1-3-8-20)29(17-21-9-6-16-32-21)25(31)22-10-4-5-15-27-22/h4-6,9-16,20,23H,1-3,7-8,17H2,(H,28,30)
InChIKeyUQMFSSFHRPVISF-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.65
Rot. Bonds7

About N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 3206071) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID3206071
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC NameN-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C25H26FN3O3/c26-19-13-11-18(12-14-19)23(24(30)28-20-7-2-1-3-8-20)29(17-21-9-6-16-32-21)25(31)22-10-4-5-15-27-22/h4-6,9-16,20,23H,1-3,7-8,17H2,(H,28,30)
InChIKeyUQMFSSFHRPVISF-UHFFFAOYSA-N
XLogP4.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
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)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 3206071) is N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NC1CCCCC1)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1ccccn1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is UQMFSSFHRPVISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c26-19-13-11-18(12-14-19)23(24(30)28-20-7-2-1-3-8-20)29(17-21-9-6-16-32-21)25(31)22-10-4-5-15-27-22/h4-6,9-16,20,23H,1-3,7-8,17H2,(H,28,30).
What are the key properties of N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 3206071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).