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

C25H30N6O3 — CID 90443987

IUPACN-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C25H30N6O3/c1-26-25(32)17-2-7-23(29-16-17)30-18-3-5-20(6-4-18)34-22-15-19(31-10-12-33-13-11-31)14-21-24(22)28-9-8-27-21/h2,7-9,14-16,18,20H,3-6,10-13H2,1H3,(H,26,32)(H,29,30)
InChIKeyMRCJIYZXRQCERK-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.02
Rot. Bonds6

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

N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 90443987) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide
PubChem CID90443987
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C25H30N6O3/c1-26-25(32)17-2-7-23(29-16-17)30-18-3-5-20(6-4-18)34-22-15-19(31-10-12-33-13-11-31)14-21-24(22)28-9-8-27-21/h2,7-9,14-16,18,20H,3-6,10-13H2,1H3,(H,26,32)(H,29,30)
InChIKeyMRCJIYZXRQCERK-UHFFFAOYSA-N
XLogP3.02
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide (CID 90443987) is N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide is CNC(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.
What is the InChIKey of N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide?
The InChIKey is MRCJIYZXRQCERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-26-25(32)17-2-7-23(29-16-17)30-18-3-5-20(6-4-18)34-22-15-19(31-10-12-33-13-11-31)14-21-24(22)28-9-8-27-21/h2,7-9,14-16,18,20H,3-6,10-13H2,1H3,(H,26,32)(H,29,30).
What are the key properties of N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide?
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 90443987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).