2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile

C16H19N3 — CID 156819082

IUPAC2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile
SMILESC=C(C#N)/C=c1\nc(N2CCCCC2)cc\c1=C\C
InChIInChI=1S/C16H19N3/c1-3-14-7-8-16(19-9-5-4-6-10-19)18-15(14)11-13(2)12-17/h3,7-8,11H,2,4-6,9-10H2,1H3/b14-3-,15-11+
InChIKeyNVIHIVLZGXBGKF-WYWOMNKFSA-N
MW253.35 g/mol
LogP1.73
Rot. Bonds2

About 2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile

2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile (PubChem CID 156819082) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile.

Molecular Properties

Compound Name2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile
PubChem CID156819082
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile
SMILESC=C(C#N)/C=c1\nc(N2CCCCC2)cc\c1=C\C
InChIInChI=1S/C16H19N3/c1-3-14-7-8-16(19-9-5-4-6-10-19)18-15(14)11-13(2)12-17/h3,7-8,11H,2,4-6,9-10H2,1H3/b14-3-,15-11+
InChIKeyNVIHIVLZGXBGKF-WYWOMNKFSA-N
XLogP1.73
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine
CID 142064525
2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-en-1-amine
CID 156819137
(6Z,8Z)-N,1-di(propan-2-yl)-3,4-dihydrocycloocta[b]pyridin-2-imine
CID 173809943
(3E,5Z,6E)-3,6-bis[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4,5-di(ethylidene)piperidin-2-imine
CID 173933700
(3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine
CID 174103242
N-[(2Z,4E)-3-methylhexa-2,4-dien-2-yl]-1-piperidin-1-ylethanimine
CID 142064526

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile?
The IUPAC name of 2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile (CID 156819082) is 2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile.
What is the SMILES notation for 2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile?
The canonical SMILES for 2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile is C=C(C#N)/C=c1\nc(N2CCCCC2)cc\c1=C\C.
What is the InChIKey of 2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile?
The InChIKey is NVIHIVLZGXBGKF-WYWOMNKFSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-14-7-8-16(19-9-5-4-6-10-19)18-15(14)11-13(2)12-17/h3,7-8,11H,2,4-6,9-10H2,1H3/b14-3-,15-11+.
What are the key properties of 2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile?
2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile has a molecular weight of 253.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3Z)-3-ethylidene-6-piperidin-1-yl-2-pyridinylidene]methyl]prop-2-enenitrile is sourced from PubChem (CID 156819082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).