[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate

C15H18N4O3 — CID 7985731

IUPAC[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate
SMILESC[C@@H](OC(=O)c1cnccn1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C15H18N4O3/c1-11(22-14(21)12-9-17-7-8-18-12)13(20)19-15(10-16)5-3-2-4-6-15/h7-9,11H,2-6H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyKQSNPGLMDPBNEX-LLVKDONJSA-N
MW302.33 g/mol
LogP1.36
Rot. Bonds4

About [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate

[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate (PubChem CID 7985731) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate
PubChem CID7985731
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate
SMILESC[C@@H](OC(=O)c1cnccn1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C15H18N4O3/c1-11(22-14(21)12-9-17-7-8-18-12)13(20)19-15(10-16)5-3-2-4-6-15/h7-9,11H,2-6H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyKQSNPGLMDPBNEX-LLVKDONJSA-N
XLogP1.36
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7789501
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7814882
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 7837951
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 8524931
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814385
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 8708866
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193429
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 7203914
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 7725085
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514652
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838459
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
CID 55999934

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate?
The IUPAC name of [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate (CID 7985731) is [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate.
What is the SMILES notation for [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate?
The canonical SMILES for [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate is C[C@@H](OC(=O)c1cnccn1)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate?
The InChIKey is KQSNPGLMDPBNEX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11(22-14(21)12-9-17-7-8-18-12)13(20)19-15(10-16)5-3-2-4-6-15/h7-9,11H,2-6H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate?
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate is sourced from PubChem (CID 7985731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).