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

C25H26FN3O3 — CID 3205967

IUPACN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1F)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C25H26FN3O3/c26-21-13-5-4-12-20(21)23(24(30)28-18-9-2-1-3-10-18)29(17-19-11-8-16-32-19)25(31)22-14-6-7-15-27-22/h4-8,11-16,18,23H,1-3,9-10,17H2,(H,28,30)
InChIKeySOIPYLXAQNONRE-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.65
Rot. Bonds7

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

N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 3205967) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID3205967
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC NameN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1F)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C25H26FN3O3/c26-21-13-5-4-12-20(21)23(24(30)28-18-9-2-1-3-10-18)29(17-19-11-8-16-32-19)25(31)22-14-6-7-15-27-22/h4-8,11-16,18,23H,1-3,9-10,17H2,(H,28,30)
InChIKeySOIPYLXAQNONRE-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-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 3205967) is N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NC1CCCCC1)C(c1ccccc1F)N(Cc1ccco1)C(=O)c1ccccn1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is SOIPYLXAQNONRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c26-21-13-5-4-12-20(21)23(24(30)28-18-9-2-1-3-10-18)29(17-19-11-8-16-32-19)25(31)22-14-6-7-15-27-22/h4-8,11-16,18,23H,1-3,9-10,17H2,(H,28,30).
What are the key properties of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
N-[2-(cyclohexylamino)-1-(2-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-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 3205967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).