5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid

C19H21N3O5 — CID 120695954

IUPAC5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCc2ccc(COC3CCOCC3)cc2)cn1
InChIInChI=1S/C19H21N3O5/c23-18(16-10-21-17(11-20-16)19(24)25)22-9-13-1-3-14(4-2-13)12-27-15-5-7-26-8-6-15/h1-4,10-11,15H,5-9,12H2,(H,22,23)(H,24,25)
InChIKeyLZJWRDYYCBHRGU-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.80
Rot. Bonds7

About 5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid

5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120695954) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120695954
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCc2ccc(COC3CCOCC3)cc2)cn1
InChIInChI=1S/C19H21N3O5/c23-18(16-10-21-17(11-20-16)19(24)25)22-9-13-1-3-14(4-2-13)12-27-15-5-7-26-8-6-15/h1-4,10-11,15H,5-9,12H2,(H,22,23)(H,24,25)
InChIKeyLZJWRDYYCBHRGU-UHFFFAOYSA-N
XLogP1.80
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]thiophene-2-carboxylic acid
CID 120695960
3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 126784533
4-[[[4-(oxan-4-yloxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 122032102
4-[[[2-(oxan-4-yloxymethyl)benzoyl]amino]methyl]benzoic acid
CID 119353331
5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120689125
2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 105344934
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
2-methyl-3-[methyl-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]amino]propanoic acid
CID 122007538
1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea
CID 84590236
4-[[3-(oxan-4-yloxy)propanoylamino]methyl]benzoic acid
CID 119353332
5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685308
(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120639837

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid (CID 120695954) is 5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NCc2ccc(COC3CCOCC3)cc2)cn1.
What is the InChIKey of 5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is LZJWRDYYCBHRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-18(16-10-21-17(11-20-16)19(24)25)22-9-13-1-3-14(4-2-13)12-27-15-5-7-26-8-6-15/h1-4,10-11,15H,5-9,12H2,(H,22,23)(H,24,25).
What are the key properties of 5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120695954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).