(E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine

C17H23N5O — CID 122650707

IUPAC(E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine
SMILESCCN(C/C=C(\C)C(=NN)c1ncco1)Cc1ccc(C)nc1
InChIInChI=1S/C17H23N5O/c1-4-22(12-15-6-5-14(3)20-11-15)9-7-13(2)16(21-18)17-19-8-10-23-17/h5-8,10-11H,4,9,12,18H2,1-3H3/b13-7+,21-16?
InChIKeyPWHPHGKHNIYYAU-SIWXODFCSA-N
MW313.41 g/mol
LogP2.51
Rot. Bonds7

About (E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine

(E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine (PubChem CID 122650707) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is (E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine
PubChem CID122650707
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name(E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine
SMILESCCN(C/C=C(\C)C(=NN)c1ncco1)Cc1ccc(C)nc1
InChIInChI=1S/C17H23N5O/c1-4-22(12-15-6-5-14(3)20-11-15)9-7-13(2)16(21-18)17-19-8-10-23-17/h5-8,10-11H,4,9,12,18H2,1-3H3/b13-7+,21-16?
InChIKeyPWHPHGKHNIYYAU-SIWXODFCSA-N
XLogP2.51
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine?
The IUPAC name of (E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine (CID 122650707) is (E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine?
The canonical SMILES for (E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine is CCN(C/C=C(\C)C(=NN)c1ncco1)Cc1ccc(C)nc1.
What is the InChIKey of (E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine?
The InChIKey is PWHPHGKHNIYYAU-SIWXODFCSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-22(12-15-6-5-14(3)20-11-15)9-7-13(2)16(21-18)17-19-8-10-23-17/h5-8,10-11H,4,9,12,18H2,1-3H3/b13-7+,21-16?.
What are the key properties of (E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine?
(E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine has a molecular weight of 313.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-hydrazinylidene-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(1,3-oxazol-2-yl)but-2-en-1-amine is sourced from PubChem (CID 122650707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).