(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

C21H30N6O2 — CID 95100941

IUPAC(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCc1nc2cc(N3CCC[C@H](C(=O)NCCN4CCOCC4)C3)cnc2nc1C
InChIInChI=1S/C21H30N6O2/c1-15-16(2)25-20-19(24-15)12-18(13-23-20)27-6-3-4-17(14-27)21(28)22-5-7-26-8-10-29-11-9-26/h12-13,17H,3-11,14H2,1-2H3,(H,22,28)/t17-/m0/s1
InChIKeyUDGBTLZQJAWLHU-KRWDZBQOSA-N
MW398.51 g/mol
LogP1.31
Rot. Bonds5

About (3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 95100941) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
PubChem CID95100941
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCc1nc2cc(N3CCC[C@H](C(=O)NCCN4CCOCC4)C3)cnc2nc1C
InChIInChI=1S/C21H30N6O2/c1-15-16(2)25-20-19(24-15)12-18(13-23-20)27-6-3-4-17(14-27)21(28)22-5-7-26-8-10-29-11-9-26/h12-13,17H,3-11,14H2,1-2H3,(H,22,28)/t17-/m0/s1
InChIKeyUDGBTLZQJAWLHU-KRWDZBQOSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 53166012
(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 95100994
(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 95100975
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 53203905
(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 67099408
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide
CID 53165981
1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
CID 53165997
[(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95100992
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882153
1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 53166089
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 20929378

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (CID 95100941) is (3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is Cc1nc2cc(N3CCC[C@H](C(=O)NCCN4CCOCC4)C3)cnc2nc1C.
What is the InChIKey of (3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The InChIKey is UDGBTLZQJAWLHU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-15-16(2)25-20-19(24-15)12-18(13-23-20)27-6-3-4-17(14-27)21(28)22-5-7-26-8-10-29-11-9-26/h12-13,17H,3-11,14H2,1-2H3,(H,22,28)/t17-/m0/s1.
What are the key properties of (3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95100941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).