N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide

C24H26N6O3 — CID 178034949

IUPACN'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide
SMILESCCNNC(=O)c1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C24H26N6O3/c1-2-26-29-22(31)18-5-3-17(4-6-18)21-11-12-25-24(28-21)27-20-9-7-19(8-10-20)23(32)30-13-15-33-16-14-30/h3-12,26H,2,13-16H2,1H3,(H,29,31)(H,25,27,28)
InChIKeyVIOMXHRSAYNPMI-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.61
Rot. Bonds7

About N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide

N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide (PubChem CID 178034949) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide
PubChem CID178034949
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide
SMILESCCNNC(=O)c1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C24H26N6O3/c1-2-26-29-22(31)18-5-3-17(4-6-18)21-11-12-25-24(28-21)27-20-9-7-19(8-10-20)23(32)30-13-15-33-16-14-30/h3-12,26H,2,13-16H2,1H3,(H,29,31)(H,25,27,28)
InChIKeyVIOMXHRSAYNPMI-UHFFFAOYSA-N
XLogP2.61
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide (CID 178034949) is N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide is CCNNC(=O)c1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)cc1.
What is the InChIKey of N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide?
The InChIKey is VIOMXHRSAYNPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-2-26-29-22(31)18-5-3-17(4-6-18)21-11-12-25-24(28-21)27-20-9-7-19(8-10-20)23(32)30-13-15-33-16-14-30/h3-12,26H,2,13-16H2,1H3,(H,29,31)(H,25,27,28).
What are the key properties of N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide?
N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide has a molecular weight of 446.51 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 178034949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).