N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide

C25H30N6O3 — CID 121335836

IUPACN-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C25H30N6O3/c1-26-25(32)20-3-2-4-23(30-20)29-17-5-7-19(8-6-17)34-22-16-18(31-11-13-33-14-12-31)15-21-24(22)28-10-9-27-21/h2-4,9-10,15-17,19H,5-8,11-14H2,1H3,(H,26,32)(H,29,30)
InChIKeyFFFCVPSPTFAXSO-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.02
Rot. Bonds6

About N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide

N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide (PubChem CID 121335836) 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-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide
PubChem CID121335836
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C25H30N6O3/c1-26-25(32)20-3-2-4-23(30-20)29-17-5-7-19(8-6-17)34-22-16-18(31-11-13-33-14-12-31)15-21-24(22)28-10-9-27-21/h2-4,9-10,15-17,19H,5-8,11-14H2,1H3,(H,26,32)(H,29,30)
InChIKeyFFFCVPSPTFAXSO-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-2-carboxamide?
The IUPAC name of N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide (CID 121335836) is N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide is CNC(=O)c1cccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.
What is the InChIKey of N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide?
The InChIKey is FFFCVPSPTFAXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-26-25(32)20-3-2-4-23(30-20)29-17-5-7-19(8-6-17)34-22-16-18(31-11-13-33-14-12-31)15-21-24(22)28-10-9-27-21/h2-4,9-10,15-17,19H,5-8,11-14H2,1H3,(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-2-carboxamide?
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 121335836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).