3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide

C24H26FN5O3 — CID 86281711

IUPAC3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncccc1F
InChIInChI=1S/C24H26FN5O3/c25-19-2-1-7-27-22(19)24(31)29-16-3-5-18(6-4-16)33-21-15-17(30-10-12-32-13-11-30)14-20-23(21)28-9-8-26-20/h1-2,7-9,14-16,18H,3-6,10-13H2,(H,29,31)
InChIKeyNXWMBPUPJNKRNS-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.12
Rot. Bonds5

About 3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide

3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide (PubChem CID 86281711) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide
PubChem CID86281711
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncccc1F
InChIInChI=1S/C24H26FN5O3/c25-19-2-1-7-27-22(19)24(31)29-16-3-5-18(6-4-16)33-21-15-17(30-10-12-32-13-11-30)14-20-23(21)28-9-8-26-20/h1-2,7-9,14-16,18H,3-6,10-13H2,(H,29,31)
InChIKeyNXWMBPUPJNKRNS-UHFFFAOYSA-N
XLogP3.12
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide (CID 86281711) is 3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide is O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide?
The InChIKey is NXWMBPUPJNKRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c25-19-2-1-7-27-22(19)24(31)29-16-3-5-18(6-4-16)33-21-15-17(30-10-12-32-13-11-30)14-20-23(21)28-9-8-26-20/h1-2,7-9,14-16,18H,3-6,10-13H2,(H,29,31).
What are the key properties of 3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide?
3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 86281711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).