2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile

C16H15N5 — CID 157139827

IUPAC2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile
SMILESC=C1CN=C(c2ccc(NN=C(C#N)C#N)cc2)[C@H](C)C1
InChIInChI=1S/C16H15N5/c1-11-7-12(2)16(19-10-11)13-3-5-14(6-4-13)20-21-15(8-17)9-18/h3-6,12,20H,1,7,10H2,2H3/t12-/m1/s1
InChIKeyAKBHYCJLVACOCP-GFCCVEGCSA-N
MW277.33 g/mol
LogP2.89
Rot. Bonds3

About 2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile

2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile (PubChem CID 157139827) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile
PubChem CID157139827
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile
SMILESC=C1CN=C(c2ccc(NN=C(C#N)C#N)cc2)[C@H](C)C1
InChIInChI=1S/C16H15N5/c1-11-7-12(2)16(19-10-11)13-3-5-14(6-4-13)20-21-15(8-17)9-18/h3-6,12,20H,1,7,10H2,2H3/t12-/m1/s1
InChIKeyAKBHYCJLVACOCP-GFCCVEGCSA-N
XLogP2.89
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile (CID 157139827) is 2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile is C=C1CN=C(c2ccc(NN=C(C#N)C#N)cc2)[C@H](C)C1.
What is the InChIKey of 2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is AKBHYCJLVACOCP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N5/c1-11-7-12(2)16(19-10-11)13-3-5-14(6-4-13)20-21-15(8-17)9-18/h3-6,12,20H,1,7,10H2,2H3/t12-/m1/s1.
What are the key properties of 2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile?
2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 277.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5R)-5-methyl-3-methylidene-4,5-dihydro-2H-pyridin-6-yl]phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 157139827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).