N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide

C18H19N3O2 — CID 702141

IUPACN'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide
SMILESCC(C)c1ccc(/C=C/C(=O)NNC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H19N3O2/c1-13(2)15-8-5-14(6-9-15)7-10-17(22)20-21-18(23)16-4-3-11-19-12-16/h3-13H,1-2H3,(H,20,22)(H,21,23)/b10-7+
InChIKeyRBTUDWSRTSHDLA-JXMROGBWSA-N
MW309.37 g/mol
LogP2.68
Rot. Bonds4

About N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide

N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide (PubChem CID 702141) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide
PubChem CID702141
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide
SMILESCC(C)c1ccc(/C=C/C(=O)NNC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H19N3O2/c1-13(2)15-8-5-14(6-9-15)7-10-17(22)20-21-18(23)16-4-3-11-19-12-16/h3-13H,1-2H3,(H,20,22)(H,21,23)/b10-7+
InChIKeyRBTUDWSRTSHDLA-JXMROGBWSA-N
XLogP2.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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 N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide (CID 702141) is N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide is CC(C)c1ccc(/C=C/C(=O)NNC(=O)c2cccnc2)cc1.
What is the InChIKey of N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide?
The InChIKey is RBTUDWSRTSHDLA-JXMROGBWSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(2)15-8-5-14(6-9-15)7-10-17(22)20-21-18(23)16-4-3-11-19-12-16/h3-13H,1-2H3,(H,20,22)(H,21,23)/b10-7+.
What are the key properties of N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide?
N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide has a molecular weight of 309.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 702141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).