(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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Related Compounds

CID 44407000
CID 44407000
CID 71928354
CID 71928354
CID 71928369
CID 71928369
CID 71928376
CID 71928376
CID 71928390
CID 71928390
CID 68862097
CID 68862097
CID 121351230
CID 121351230
CID 121351236
CID 121351236
CID 121351316
CID 121351316
CID 121351374
CID 121351374
CID 121351450
CID 121351450
CID 121351480
CID 121351480

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).