[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate

C19H17N3O3 — CID 9196611

IUPAC[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESC[C@H](NC(=O)COC(=O)c1cnccn1)c1cccc2ccccc12
InChIInChI=1S/C19H17N3O3/c1-13(15-8-4-6-14-5-2-3-7-16(14)15)22-18(23)12-25-19(24)17-11-20-9-10-21-17/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyRTDCSCNULLEODZ-ZDUSSCGKSA-N
MW335.36 g/mol
LogP2.66
Rot. Bonds5

About [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 9196611) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID9196611
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESC[C@H](NC(=O)COC(=O)c1cnccn1)c1cccc2ccccc12
InChIInChI=1S/C19H17N3O3/c1-13(15-8-4-6-14-5-2-3-7-16(14)15)22-18(23)12-25-19(24)17-11-20-9-10-21-17/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyRTDCSCNULLEODZ-ZDUSSCGKSA-N
XLogP2.66
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 55397665
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] pyrazine-2-carboxylate
CID 7985817
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228968
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841226
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646332
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-chlorobenzoate
CID 55397519
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9347902
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8577464
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 46641426
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644678
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203454

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 9196611) is [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate is C[C@H](NC(=O)COC(=O)c1cnccn1)c1cccc2ccccc12.
What is the InChIKey of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is RTDCSCNULLEODZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(15-8-4-6-14-5-2-3-7-16(14)15)22-18(23)12-25-19(24)17-11-20-9-10-21-17/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 9196611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).