(2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine

C14H21N3 — CID 71065143

IUPAC(2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine
SMILESCCCCC[C@H]1CC=C/C(=C2\C=NC=CN2)N1
InChIInChI=1S/C14H21N3/c1-2-3-4-6-12-7-5-8-13(17-12)14-11-15-9-10-16-14/h5,8-12,16-17H,2-4,6-7H2,1H3/b14-13-/t12-/m0/s1
InChIKeyRPTVEGGWCDBDMS-JOLOJFPGSA-N
MW231.34 g/mol
LogP2.84
Rot. Bonds4

About (2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine

(2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine (PubChem CID 71065143) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine.

Molecular Properties

Compound Name(2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine
PubChem CID71065143
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine
SMILESCCCCC[C@H]1CC=C/C(=C2\C=NC=CN2)N1
InChIInChI=1S/C14H21N3/c1-2-3-4-6-12-7-5-8-13(17-12)14-11-15-9-10-16-14/h5,8-12,16-17H,2-4,6-7H2,1H3/b14-13-/t12-/m0/s1
InChIKeyRPTVEGGWCDBDMS-JOLOJFPGSA-N
XLogP2.84
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine?
The IUPAC name of (2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine (CID 71065143) is (2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine.
What is the SMILES notation for (2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine?
The canonical SMILES for (2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine is CCCCC[C@H]1CC=C/C(=C2\C=NC=CN2)N1.
What is the InChIKey of (2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine?
The InChIKey is RPTVEGGWCDBDMS-JOLOJFPGSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-3-4-6-12-7-5-8-13(17-12)14-11-15-9-10-16-14/h5,8-12,16-17H,2-4,6-7H2,1H3/b14-13-/t12-/m0/s1.
What are the key properties of (2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine?
(2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine has a molecular weight of 231.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2S)-2-pentyl-2,3-dihydro-1H-pyridin-6-ylidene]-1H-pyrazine is sourced from PubChem (CID 71065143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).