5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid

C19H23N3O4 — CID 122048985

IUPAC5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid
SMILESCC(Nc1cnc(C(=O)O)cn1)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-13(22-17-12-20-16(11-21-17)19(23)24)18(14-5-3-2-4-6-14)26-15-7-9-25-10-8-15/h2-6,11-13,15,18H,7-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyBUYTYWKZRSORFG-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.91
Rot. Bonds7

About 5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid

5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid (PubChem CID 122048985) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid
PubChem CID122048985
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid
SMILESCC(Nc1cnc(C(=O)O)cn1)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-13(22-17-12-20-16(11-21-17)19(23)24)18(14-5-3-2-4-6-14)26-15-7-9-25-10-8-15/h2-6,11-13,15,18H,7-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyBUYTYWKZRSORFG-UHFFFAOYSA-N
XLogP2.91
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile
CID 146107464
5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide
CID 133398414
N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine
CID 133398627
5-nitro-2-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine
CID 133398475
5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid
CID 122052869
N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
CID 129398410
2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile
CID 133398629
5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122050315
1-(oxan-4-yloxy)-1-phenylpropan-2-amine
CID 55017189
3-[methyl-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]carbamoyl]amino]propanoic acid
CID 122007367
(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
CID 120639699
N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133398549

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid (CID 122048985) is 5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid is CC(Nc1cnc(C(=O)O)cn1)C(OC1CCOCC1)c1ccccc1.
What is the InChIKey of 5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid?
The InChIKey is BUYTYWKZRSORFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(22-17-12-20-16(11-21-17)19(23)24)18(14-5-3-2-4-6-14)26-15-7-9-25-10-8-15/h2-6,11-13,15,18H,7-10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid?
5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122048985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).