5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid

C20H22N4O5 — CID 120685308

IUPAC5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(CNC(=O)c3cnc(C(=O)O)cn3)cc2)CC(C)O1
InChIInChI=1S/C20H22N4O5/c1-12-10-24(11-13(2)29-12)19(26)15-5-3-14(4-6-15)7-23-18(25)16-8-22-17(9-21-16)20(27)28/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyKCXBODPXBVXUEL-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.35
Rot. Bonds5

About 5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid

5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685308) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is 5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685308
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(CNC(=O)c3cnc(C(=O)O)cn3)cc2)CC(C)O1
InChIInChI=1S/C20H22N4O5/c1-12-10-24(11-13(2)29-12)19(26)15-5-3-14(4-6-15)7-23-18(25)16-8-22-17(9-21-16)20(27)28/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyKCXBODPXBVXUEL-UHFFFAOYSA-N
XLogP1.35
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055437
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 146081496
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide
CID 120626034
2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 71881346
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738824
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210928
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanone
CID 124730185
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119752614

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685308) is 5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid is CC1CN(C(=O)c2ccc(CNC(=O)c3cnc(C(=O)O)cn3)cc2)CC(C)O1.
What is the InChIKey of 5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is KCXBODPXBVXUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-12-10-24(11-13(2)29-12)19(26)15-5-3-14(4-6-15)7-23-18(25)16-8-22-17(9-21-16)20(27)28/h3-6,8-9,12-13H,7,10-11H2,1-2H3,(H,23,25)(H,27,28).
What are the key properties of 5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 398.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).