6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide

C22H17N5O — CID 70208569

IUPAC6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide
SMILESNN=Cc1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ncccn3)c2c1
InChIInChI=1S/C22H17N5O/c23-26-14-15-7-8-16-12-17(22(28)27-18-5-2-1-3-6-18)13-20(19(16)11-15)21-24-9-4-10-25-21/h1-14H,23H2,(H,27,28)
InChIKeyFBCXWJJRRMLGQC-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.84
Rot. Bonds4

About 6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide

6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide (PubChem CID 70208569) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide
PubChem CID70208569
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide
SMILESNN=Cc1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ncccn3)c2c1
InChIInChI=1S/C22H17N5O/c23-26-14-15-7-8-16-12-17(22(28)27-18-5-2-1-3-6-18)13-20(19(16)11-15)21-24-9-4-10-25-21/h1-14H,23H2,(H,27,28)
InChIKeyFBCXWJJRRMLGQC-UHFFFAOYSA-N
XLogP3.84
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide?
The IUPAC name of 6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide (CID 70208569) is 6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide?
The canonical SMILES for 6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide is NN=Cc1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ncccn3)c2c1.
What is the InChIKey of 6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide?
The InChIKey is FBCXWJJRRMLGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c23-26-14-15-7-8-16-12-17(22(28)27-18-5-2-1-3-6-18)13-20(19(16)11-15)21-24-9-4-10-25-21/h1-14H,23H2,(H,27,28).
What are the key properties of 6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide?
6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanehydrazonoyl-N-phenyl-4-pyrimidin-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 70208569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).