N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide

C53H65N13O7 — CID 158040088

About N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide

N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide (PubChem CID 158040088) has the molecular formula C53H65N13O7 and a molecular weight of 996.19 g/mol. Its IUPAC name is N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide
• PubChem CID: 158040088
• Molecular Formula: C53H65N13O7
• Molecular Weight: 996.19 g/mol
• Exact Mass: 995.51
• IUPAC Name: N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide
• SMILES: CN(C)C(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(N[C@@H]1CCOC1)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
• InChI: InChI=1S/C27H33N7O4.C26H32N6O3/c35-26(32-20-5-10-37-17-20)18-15-30-27(31-16-18)33-19-1-3-22(4-2-19)38-24-14-21(34-8-11-36-12-9-34)13-23-25(24)29-7-6-28-23;1-31(2)26(33)18-3-8-24(29-17-18)30-19-4-6-21(7-5-19)35-23-16-20(32-11-13-34-14-12-32)15-22-25(23)28-10-9-27-22/h6-7,13-16,19-20,22H,1-5,8-12,17H2,(H,32,35)(H,30,31,33);3,8-10,15-17,19,21H,4-7,11-14H2,1-2H3,(H,29,30)/t19?,20-,22?;/m1./s1
• InChIKey: FIGBBVNJPLAJMU-PYCHRVCKSA-N
• XLogP: 5.94
• TPSA: 216.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	996.19
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide?

The IUPAC name of N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide (CID 158040088) is N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide is CN(C)C(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(N[C@@H]1CCOC1)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.

What is the InChIKey of N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide?

The InChIKey is FIGBBVNJPLAJMU-PYCHRVCKSA-N. The full InChI is InChI=1S/C27H33N7O4.C26H32N6O3/c35-26(32-20-5-10-37-17-20)18-15-30-27(31-16-18)33-19-1-3-22(4-2-19)38-24-14-21(34-8-11-36-12-9-34)13-23-25(24)29-7-6-28-23;1-31(2)26(33)18-3-8-24(29-17-18)30-19-4-6-21(7-5-19)35-23-16-20(32-11-13-34-14-12-32)15-22-25(23)28-10-9-27-22/h6-7,13-16,19-20,22H,1-5,8-12,17H2,(H,32,35)(H,30,31,33);3,8-10,15-17,19,21H,4-7,11-14H2,1-2H3,(H,29,30)/t19?,20-,22?;/m1./s1.

What are the key properties of N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide?

N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 996.19 g/mol, XLogP of 5.94, 13 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 158040088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).