6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide

C24H28N6O3 — CID 90443926

IUPAC6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C24H28N6O3/c25-24(31)16-1-6-22(28-15-16)29-17-2-4-19(5-3-17)33-21-14-18(30-9-11-32-12-10-30)13-20-23(21)27-8-7-26-20/h1,6-8,13-15,17,19H,2-5,9-12H2,(H2,25,31)(H,28,29)
InChIKeyHHKHNWTUPUTPNO-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.76
Rot. Bonds6

About 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide

6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 90443926) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide
PubChem CID90443926
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C24H28N6O3/c25-24(31)16-1-6-22(28-15-16)29-17-2-4-19(5-3-17)33-21-14-18(30-9-11-32-12-10-30)13-20-23(21)27-8-7-26-20/h1,6-8,13-15,17,19H,2-5,9-12H2,(H2,25,31)(H,28,29)
InChIKeyHHKHNWTUPUTPNO-UHFFFAOYSA-N
XLogP2.76
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide (CID 90443926) is 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide is NC(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.
What is the InChIKey of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide?
The InChIKey is HHKHNWTUPUTPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c25-24(31)16-1-6-22(28-15-16)29-17-2-4-19(5-3-17)33-21-14-18(30-9-11-32-12-10-30)13-20-23(21)27-8-7-26-20/h1,6-8,13-15,17,19H,2-5,9-12H2,(H2,25,31)(H,28,29).
What are the key properties of 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide?
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 90443926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).