N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide

C21H30N6O2 — CID 129280526

IUPACN-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(CC2CN(c3ccnc4nccnc34)CC(C)O2)CC1
InChIInChI=1S/C21H30N6O2/c1-3-22-21(28)16-5-10-26(11-6-16)13-17-14-27(12-15(2)29-17)18-4-7-24-20-19(18)23-8-9-25-20/h4,7-9,15-17H,3,5-6,10-14H2,1-2H3,(H,22,28)
InChIKeyKRZNBSREWUTCGS-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.47
Rot. Bonds5

About N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide

N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 129280526) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID129280526
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(CC2CN(c3ccnc4nccnc34)CC(C)O2)CC1
InChIInChI=1S/C21H30N6O2/c1-3-22-21(28)16-5-10-26(11-6-16)13-17-14-27(12-15(2)29-17)18-4-7-24-20-19(18)23-8-9-25-20/h4,7-9,15-17H,3,5-6,10-14H2,1-2H3,(H,22,28)
InChIKeyKRZNBSREWUTCGS-UHFFFAOYSA-N
XLogP1.47
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide (CID 129280526) is N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide is CCNC(=O)C1CCN(CC2CN(c3ccnc4nccnc34)CC(C)O2)CC1.
What is the InChIKey of N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KRZNBSREWUTCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-3-22-21(28)16-5-10-26(11-6-16)13-17-14-27(12-15(2)29-17)18-4-7-24-20-19(18)23-8-9-25-20/h4,7-9,15-17H,3,5-6,10-14H2,1-2H3,(H,22,28).
What are the key properties of N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide?
N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 129280526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).