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

C26H32N6O3 — CID 90443946

IUPACN,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C26H32N6O3/c1-31(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/h3,8-10,15-17,19,21H,4-7,11-14H2,1-2H3,(H,29,30)
InChIKeyWJDRXKIDRFIWCQ-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.37
Rot. Bonds6

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

N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 90443946) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide
PubChem CID90443946
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC NameN,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C26H32N6O3/c1-31(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/h3,8-10,15-17,19,21H,4-7,11-14H2,1-2H3,(H,29,30)
InChIKeyWJDRXKIDRFIWCQ-UHFFFAOYSA-N
XLogP3.37
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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?
The IUPAC name of N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide (CID 90443946) is N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(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?
The InChIKey is WJDRXKIDRFIWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-31(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/h3,8-10,15-17,19,21H,4-7,11-14H2,1-2H3,(H,29,30).
What are the key properties of N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide?
N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 90443946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).