(3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide

C16H23N5O3 — CID 5925103

IUPACN-[(E)-[4-(2-morpholin-4-ylethylamino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)C1=CC=NC=C1)/CC(=O)NCCN2CCOCC2
InChIInChI=1S/C16H23N5O3/c1-13(19-20-16(23)14-2-4-17-5-3-14)12-15(22)18-6-7-21-8-10-24-11-9-21/h2-5H,6-12H2,1H3,(H,18,22)(H,20,23)/b19-13+
InChIKeyHWHPLXMPDFDEHU-CPNJWEJPSA-N
MW333.39 g/mol
LogP-0.60
Rot. Bonds7

About (3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide

(3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide (PubChem CID 5925103) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(E)-[4-(2-morpholin-4-ylethylamino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name(3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide
PubChem CID5925103
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[(E)-[4-(2-morpholin-4-ylethylamino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)C1=CC=NC=C1)/CC(=O)NCCN2CCOCC2
InChIInChI=1S/C16H23N5O3/c1-13(19-20-16(23)14-2-4-17-5-3-14)12-15(22)18-6-7-21-8-10-24-11-9-21/h2-5H,6-12H2,1H3,(H,18,22)(H,20,23)/b19-13+
InChIKeyHWHPLXMPDFDEHU-CPNJWEJPSA-N
XLogP-0.60
TPSA95.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity443

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 (3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide?
The IUPAC name of (3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide (CID 5925103) is N-[(E)-[4-(2-morpholin-4-ylethylamino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for (3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide?
The canonical SMILES for (3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide is C/C(=N\NC(=O)C1=CC=NC=C1)/CC(=O)NCCN2CCOCC2.
What is the InChIKey of (3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide?
The InChIKey is HWHPLXMPDFDEHU-CPNJWEJPSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-13(19-20-16(23)14-2-4-17-5-3-14)12-15(22)18-6-7-21-8-10-24-11-9-21/h2-5H,6-12H2,1H3,(H,18,22)(H,20,23)/b19-13+.
What are the key properties of (3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide?
(3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide has a molecular weight of 333.39 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide is sourced from PubChem (CID 5925103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).